CID 19107738

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-hexacosafluorotridec-1-ene

Structural Information

Molecular Formula
C13F26
SMILES
C(=C(F)F)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C13F26/c14-1(2(15)16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)39
InChIKey
SAUHTGPUGJWMNX-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-hexacosafluorotridec-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

649.9585 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.96578 191.5
[M+Na]+ 672.94772 196.5
[M-H]- 648.95122 202.1
[M+NH4]+ 667.99232 203.8
[M+K]+ 688.92166 209.7
[M+H-H2O]+ 632.95576 180.3
[M+HCOO]- 694.95670 206.6
[M+CH3COO]- 708.97235 257.4
[M+Na-2H]- 670.93317 193.7
[M]+ 649.95795 187.7
[M]- 649.95905 187.7
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

patents stripe