CID 87586550

5:2 ftuca

Structural Information

Molecular Formula
C7H2F10O2
SMILES
C(=C(/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O
InChI
InChI=1S/C7H2F10O2/c8-2(1-3(18)19)4(9,10)5(11,12)6(13,14)7(15,16)17/h1H,(H,18,19)/b2-1-
InChIKey
VLQRWBZMXZAWNQ-UPHRSURJSA-N
Compound name
(Z)-3,4,4,5,5,6,6,7,7,7-decafluorohept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

307.9895 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.996776 150.8
[M+Na]+ 330.978718 159.5
[M-H]- 306.982224 138.1
[M+NH4]+ 326.023323 164.1
[M+K]+ 346.952658 156.6
[M+H-H2O]+ 290.986760 139.7
[M+HCOO]- 352.987701 154.9
[M+CH3COO]- 367.003351 200.8
[M+Na-2H]- 328.964166 152.4
[M]+ 307.98895142 134.6
[M]- 307.99004858 134.6
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