CID 87586550

Schembl3859756

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
1
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]+ 308.99678 150.8
[M+Na]+ 330.97872 159.5
[M-H]- 306.98222 138.1
[M+NH4]+ 326.02332 164.1
[M+K]+ 346.95266 156.6
[M+H-H2O]+ 290.98676 139.7
[M+HCOO]- 352.98770 154.9
[M+CH3COO]- 367.00335 200.8
[M+Na-2H]- 328.96417 152.4
[M]+ 307.98895 134.6
[M]- 307.99005 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.