CID 101476

Phthalmonohydroxamic acid sodium salt

Structural Information

Molecular Formula
C8H7NO4
SMILES
C1=CC=C(C(=C1)C(=O)NO)C(=O)O
InChI
InChI=1S/C8H7NO4/c10-7(9-13)5-3-1-2-4-6(5)8(11)12/h1-4,13H,(H,9,10)(H,11,12)
InChIKey
KHLCHQITTKZTBX-UHFFFAOYSA-N
Compound name
2-(hydroxycarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

196
Patents

181.0375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.044776 134.5
[M+Na]+ 204.026718 141.4
[M-H]- 180.030224 135.9
[M+NH4]+ 199.071323 152.5
[M+K]+ 220.000658 139.8
[M+H-H2O]+ 164.034760 128.9
[M+HCOO]- 226.035701 156.7
[M+CH3COO]- 240.051351 176.9
[M+Na-2H]- 202.012166 139.3
[M]+ 181.03695142 132.9
[M]- 181.03804858 132.9
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