CID 57452837

5-carbamoyl-2-fluorobenzoic acid

Structural Information

Molecular Formula
C8H6FNO3
SMILES
C1=CC(=C(C=C1C(=O)N)C(=O)O)F
InChI
InChI=1S/C8H6FNO3/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H2,10,11)(H,12,13)
InChIKey
CVWMANMBIUJRNM-UHFFFAOYSA-N
Compound name
5-carbamoyl-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.03317 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04045 135.7
[M+Na]+ 206.02239 145.4
[M+NH4]+ 201.06699 141.7
[M+K]+ 221.99633 142.0
[M-H]- 182.02589 134.7
[M+Na-2H]- 204.00784 139.7
[M]+ 183.03262 136.3
[M]- 183.03372 136.3
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