CID 101439

N-(2-chloroethyl)benzamide

Structural Information

Molecular Formula
C9H10ClNO
SMILES
C1=CC=C(C=C1)C(=O)NCCCl
InChI
InChI=1S/C9H10ClNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKey
FYQJUYCGPLFWQR-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

347
Patents

183.04509 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 137.1
[M+Na]+ 206.034308 144.5
[M-H]- 182.037814 140.4
[M+NH4]+ 201.078913 157.4
[M+K]+ 222.008248 140.8
[M+H-H2O]+ 166.042350 131.9
[M+HCOO]- 228.043291 157.5
[M+CH3COO]- 242.058941 181.3
[M+Na-2H]- 204.019756 143.8
[M]+ 183.04454142 138.2
[M]- 183.04563858 138.2
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