CID 131235269

915791-23-0

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1=CC=C(C=C1)/C=C/C(C(=O)O)(F)F
InChI
InChI=1S/C10H8F2O2/c11-10(12,9(13)14)7-6-8-4-2-1-3-5-8/h1-7H,(H,13,14)/b7-6+
InChIKey
MAWGCXCJDVFPEN-VOTSOKGWSA-N
Compound name
(E)-2,2-difluoro-4-phenylbut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.04924 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05652 138.6
[M+Na]+ 221.03846 146.0
[M-H]- 197.04196 138.2
[M+NH4]+ 216.08306 156.9
[M+K]+ 237.01240 142.8
[M+H-H2O]+ 181.04650 131.7
[M+HCOO]- 243.04744 157.5
[M+CH3COO]- 257.06309 179.9
[M+Na-2H]- 219.02391 144.0
[M]+ 198.04869 134.9
[M]- 198.04979 134.9
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