CID 59295087

3-fluoro-4-(methoxycarbonyl)benzoic acid

Structural Information

Molecular Formula
C9H7FO4
SMILES
COC(=O)C1=C(C=C(C=C1)C(=O)O)F
InChI
InChI=1S/C9H7FO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,1H3,(H,11,12)
InChIKey
BHCZVQVKEQQOAN-UHFFFAOYSA-N
Compound name
3-fluoro-4-methoxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

198.03284 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04012 139.8
[M+Na]+ 221.02206 150.4
[M+NH4]+ 216.06666 145.7
[M+K]+ 236.99600 146.6
[M-H]- 197.02556 138.2
[M+Na-2H]- 219.00751 143.8
[M]+ 198.03229 140.4
[M]- 198.03339 140.4
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