CID 165362581

Dtxsid601348986

Structural Information

Molecular Formula
C28H14F34N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C28H14F34N2O4/c1-8-2-3-9(63-11(65)68-7-14(31,32)16(35,36)18(39,40)20(43,44)22(47,48)24(51,52)26(55,56)28(60,61)62)6-10(8)64-12(66)67-5-4-13(29,30)15(33,34)17(37,38)19(41,42)21(45,46)23(49,50)25(53,54)27(57,58)59/h2-3,6H,4-5,7H2,1H3,(H,63,65)(H,64,66)
InChIKey
MBMZYCPDXPPEHK-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl N-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxycarbonylamino)-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1088.041 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1089.0483 250.1
[M+Na]+ 1111.0302 253.2
[M-H]- 1087.0337 266.6
[M+NH4]+ 1106.0748 263.8
[M+K]+ 1127.0042 268.1
[M+H-H2O]+ 1071.0383 237.2
[M+HCOO]- 1133.0392 261.5
[M+CH3COO]- 1147.0549 290.5
[M+Na-2H]- 1109.0157 251.2
[M]+ 1088.0405 244.8
[M]- 1088.0415 244.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.