CID 101399

2-formamidobenzoic acid

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=CC=C(C(=C1)C(=O)O)NC=O
InChI
InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)
InChIKey
LLLPDUXGHXIXIW-UHFFFAOYSA-N
Compound name
2-formamidobenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

211
Patents

165.04259 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 130.6
[M+Na]+ 188.031808 138.2
[M-H]- 164.035314 133.3
[M+NH4]+ 183.076413 150.1
[M+K]+ 204.005748 136.4
[M+H-H2O]+ 148.039850 124.9
[M+HCOO]- 210.040791 155.1
[M+CH3COO]- 224.056441 176.9
[M+Na-2H]- 186.017256 137.2
[M]+ 165.04204142 130.1
[M]- 165.04313858 130.1
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