CID 137945347

2287315-95-9

Structural Information

Molecular Formula
C9H6F2O2
SMILES
C1=CC(=CC(=C1)C(=O)O)C=C(F)F
InChI
InChI=1S/C9H6F2O2/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-5H,(H,12,13)
InChIKey
IIWJBZIICSESKN-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03358 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04086 133.5
[M+Na]+ 207.02280 141.6
[M-H]- 183.02630 133.4
[M+NH4]+ 202.06740 152.5
[M+K]+ 222.99674 138.7
[M+H-H2O]+ 167.03084 126.5
[M+HCOO]- 229.03178 153.3
[M+CH3COO]- 243.04743 178.6
[M+Na-2H]- 205.00825 136.9
[M]+ 184.03303 129.7
[M]- 184.03413 129.7
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

No patent data available for this compound.