CID 132839175

Dtxsid301348987

Structural Information

Molecular Formula
C28H22F34N2O4
SMILES
C(CCCNC(=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)CCNC(=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/C28H22F34N2O4/c29-13(30,15(33,34)17(37,38)19(41,42)21(45,46)23(49,50)25(53,54)27(57,58)59)5-9-67-11(65)63-7-3-1-2-4-8-64-12(66)68-10-6-14(31,32)16(35,36)18(39,40)20(43,44)22(47,48)24(51,52)26(55,56)28(60,61)62/h1-10H2,(H,63,65)(H,64,66)
InChIKey
ZZPHVBISPDCCKL-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl N-[6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxycarbonylamino)hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1096.1036 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1097.1109 255.3
[M+Na]+ 1119.0928 257.1
[M-H]- 1095.0963 270.8
[M+NH4]+ 1114.1374 268.7
[M+K]+ 1135.0668 273.7
[M+H-H2O]+ 1079.1009 241.7
[M+HCOO]- 1141.1018 264.0
[M+CH3COO]- 1155.1175 290.9
[M+Na-2H]- 1117.0783 255.5
[M]+ 1096.1031 250.2
[M]- 1096.1041 250.2
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.