CID 71404795

70887-84-2

Structural Information

Molecular Formula
C10H2F16O2
SMILES
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)C(=O)O
InChI
InChI=1S/C10H2F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H,(H,27,28)
InChIKey
WHZXTVOEGZRRJM-UHFFFAOYSA-N
Compound name
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

35
Patents

457.97992 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.98720 159.4
[M+Na]+ 480.96914 166.1
[M-H]- 456.97264 167.1
[M+NH4]+ 476.01374 168.8
[M+K]+ 496.94308 172.5
[M+H-H2O]+ 440.97718 150.7
[M+HCOO]- 502.97812 176.0
[M+CH3COO]- 516.99377 227.8
[M+Na-2H]- 478.95459 159.3
[M]+ 457.97937 156.6
[M]- 457.98047 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe