CID 169935

5-chloro-n,2-dihydroxybenzamide

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
C1=CC(=C(C=C1Cl)C(=O)NO)O
InChI
InChI=1S/C7H6ClNO3/c8-4-1-2-6(10)5(3-4)7(11)9-12/h1-3,10,12H,(H,9,11)
InChIKey
VGDCRPRQQPVICX-UHFFFAOYSA-N
Compound name
5-chloro-N,2-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

187.00362 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.010896 133.2
[M+Na]+ 209.992838 142.4
[M-H]- 185.996344 135.0
[M+NH4]+ 205.037443 152.5
[M+K]+ 225.966778 138.6
[M+H-H2O]+ 170.000880 129.2
[M+HCOO]- 232.001821 151.9
[M+CH3COO]- 246.017471 176.7
[M+Na-2H]- 207.978286 138.7
[M]+ 187.00307142 133.6
[M]- 187.00416858 133.6
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