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

378
Patents

183.04509 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 136.9
[M+Na]+ 206.03431 149.7
[M+NH4]+ 201.07891 145.9
[M+K]+ 222.00825 142.3
[M-H]- 182.03781 139.6
[M+Na-2H]- 204.01976 144.5
[M]+ 183.04454 139.7
[M]- 183.04564 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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