CID 4150792

3-chloro-n-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

169.02943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 131.9
[M+Na]+ 192.01865 140.7
[M-H]- 168.02215 135.9
[M+NH4]+ 187.06325 153.2
[M+K]+ 207.99259 137.3
[M+H-H2O]+ 152.02669 127.3
[M+HCOO]- 214.02763 152.7
[M+CH3COO]- 228.04328 179.4
[M+Na-2H]- 190.00410 138.5
[M]+ 169.02888 133.1
[M]- 169.02998 133.1
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