CID 233979

4-chloro-n-(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
C1=CC(=CC=C1C(=O)NCCO)Cl
InChI
InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)
InChIKey
GBARCMIFTACERW-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

199.04001 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 139.8
[M+Na]+ 222.029228 147.7
[M-H]- 198.032734 142.2
[M+NH4]+ 217.073833 159.1
[M+K]+ 238.003168 143.7
[M+H-H2O]+ 182.037270 135.1
[M+HCOO]- 244.038211 159.1
[M+CH3COO]- 258.053861 181.9
[M+Na-2H]- 220.014676 145.4
[M]+ 199.03946142 141.0
[M]- 199.04055858 141.0
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