CID 78877

4-chloro-2-methylacetanilide

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)C
InChI
InChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey
WMHHXYOPEQARIN-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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 136.1
[M+Na]+ 206.03431 149.7
[M+NH4]+ 201.07891 145.2
[M+K]+ 222.00825 142.7
[M-H]- 182.03781 139.0
[M+Na-2H]- 204.01976 143.4
[M]+ 183.04454 139.1
[M]- 183.04564 139.1
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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