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

10
Patents

199.04001 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 139.8
[M+Na]+ 222.02923 147.7
[M-H]- 198.03273 142.2
[M+NH4]+ 217.07383 159.1
[M+K]+ 238.00317 143.7
[M+H-H2O]+ 182.03727 135.1
[M+HCOO]- 244.03821 159.1
[M+CH3COO]- 258.05386 181.9
[M+Na-2H]- 220.01468 145.4
[M]+ 199.03946 141.0
[M]- 199.04056 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