CID 27967

2-chloro-n-(4-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CC1=CC=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
CITIOELQTFSEGI-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

103
Patents

183.04509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 136.6
[M+Na]+ 206.03431 145.0
[M-H]- 182.03781 140.4
[M+NH4]+ 201.07891 157.3
[M+K]+ 222.00825 141.4
[M+H-H2O]+ 166.04235 131.8
[M+HCOO]- 228.04329 157.1
[M+CH3COO]- 242.05894 182.4
[M+Na-2H]- 204.01976 142.7
[M]+ 183.04454 138.2
[M]- 183.04564 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