CID 763862

81636-14-8

Structural Information

Molecular Formula
C14H12ClNO
SMILES
CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-9H,1H3,(H,16,17)
InChIKey
DDOSHRIGQWXMMY-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

245.06075 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06803 153.0
[M+Na]+ 268.04997 161.6
[M-H]- 244.05347 159.9
[M+NH4]+ 263.09457 171.0
[M+K]+ 284.02391 156.1
[M+H-H2O]+ 228.05801 146.6
[M+HCOO]- 290.05895 173.3
[M+CH3COO]- 304.07460 194.3
[M+Na-2H]- 266.03542 158.3
[M]+ 245.06020 154.5
[M]- 245.06130 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