CID 587178

4-chloro-n-hydroxybenzamide

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
C1=CC(=CC=C1C(=O)NO)Cl
InChI
InChI=1S/C7H6ClNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
InChIKey
DODOQPRLYSBBHR-UHFFFAOYSA-N
Compound name
4-chloro-N-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

158
Patents

171.00871 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01599 130.5
[M+Na]+ 193.99793 139.3
[M-H]- 170.00143 133.3
[M+NH4]+ 189.04253 150.9
[M+K]+ 209.97187 135.8
[M+H-H2O]+ 154.00597 126.2
[M+HCOO]- 216.00691 150.4
[M+CH3COO]- 230.02256 175.8
[M+Na-2H]- 191.98338 137.2
[M]+ 171.00816 130.9
[M]- 171.00926 130.9
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