CID 348094

5-chlorosalicylamide

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
C1=CC(=C(C=C1Cl)C(=O)N)O
InChI
InChI=1S/C7H6ClNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)
InChIKey
NNHMQZBVJPQCAK-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

445
Patents

171.00871 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.015986 130.5
[M+Na]+ 193.997928 140.1
[M-H]- 170.001434 133.1
[M+NH4]+ 189.042533 150.9
[M+K]+ 209.971868 136.3
[M+H-H2O]+ 154.005970 126.5
[M+HCOO]- 216.006911 149.8
[M+CH3COO]- 230.022561 177.1
[M+Na-2H]- 191.983376 135.4
[M]+ 171.00816142 130.4
[M]- 171.00925858 130.4
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