CID 348519

4-chloro-m-benzotoluidide

Structural Information

Molecular Formula
C14H12ClNO
SMILES
CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO/c1-10-3-2-4-13(9-10)16-14(17)11-5-7-12(15)8-6-11/h2-9H,1H3,(H,16,17)
InChIKey
ZGNNVNCFQUJRAG-UHFFFAOYSA-N
Compound name
4-chloro-N-(3-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

245.06075 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.068026 153.0
[M+Na]+ 268.049968 161.6
[M-H]- 244.053474 159.9
[M+NH4]+ 263.094573 171.0
[M+K]+ 284.023908 156.1
[M+H-H2O]+ 228.058010 146.6
[M+HCOO]- 290.058951 173.3
[M+CH3COO]- 304.074601 194.3
[M+Na-2H]- 266.035416 158.3
[M]+ 245.06020142 154.5
[M]- 245.06129858 154.5
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