CID 2801401

3-chloro-4-methylbenzamide

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CC1=C(C=C(C=C1)C(=O)N)Cl
InChI
InChI=1S/C8H8ClNO/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H2,10,11)
InChIKey
UFBWOBPUOXILAT-UHFFFAOYSA-N
Compound name
3-chloro-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

169.02943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 131.8
[M+Na]+ 192.018648 141.5
[M-H]- 168.022154 135.6
[M+NH4]+ 187.063253 153.0
[M+K]+ 207.992588 137.8
[M+H-H2O]+ 152.026690 127.5
[M+HCOO]- 214.027631 152.0
[M+CH3COO]- 228.043281 180.5
[M+Na-2H]- 190.004096 136.6
[M]+ 169.02888142 132.4
[M]- 169.02997858 132.4
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