CID 105729

5-chloro-2,4-dihydroxybenzamide

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
C1=C(C(=CC(=C1Cl)O)O)C(=O)N
InChI
InChI=1S/C7H6ClNO3/c8-4-1-3(7(9)12)5(10)2-6(4)11/h1-2,10-11H,(H2,9,12)
InChIKey
IKAFYOYUWZAUCI-UHFFFAOYSA-N
Compound name
5-chloro-2,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

187.00362 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.010896 133.3
[M+Na]+ 209.992838 143.3
[M-H]- 185.996344 134.9
[M+NH4]+ 205.037443 152.6
[M+K]+ 225.966778 139.3
[M+H-H2O]+ 170.000880 129.6
[M+HCOO]- 232.001821 151.3
[M+CH3COO]- 246.017471 178.1
[M+Na-2H]- 207.978286 137.0
[M]+ 187.00307142 133.2
[M]- 187.00416858 133.2
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