CID 67766

2-(2-fluoroacetoxy)benzoic acid

Structural Information

Molecular Formula
C9H7FO4
SMILES
C1=CC=C(C(=C1)C(=O)O)OC(=O)CF
InChI
InChI=1S/C9H7FO4/c10-5-8(11)14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,12,13)
InChIKey
ISJRKJAXVBVDDK-UHFFFAOYSA-N
Compound name
2-(2-fluoroacetyl)oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.03284 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04012 136.7
[M+Na]+ 221.02206 144.6
[M-H]- 197.02556 138.0
[M+NH4]+ 216.06666 155.2
[M+K]+ 236.99600 143.3
[M+H-H2O]+ 181.03010 130.2
[M+HCOO]- 243.03104 158.1
[M+CH3COO]- 257.04669 180.0
[M+Na-2H]- 219.00751 140.8
[M]+ 198.03229 137.0
[M]- 198.03339 137.0
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

patents stripe