CID 587357

2-chloro-n-methyl-n-phenylbenzamide

Structural Information

Molecular Formula
C14H12ClNO
SMILES
CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H12ClNO/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15/h2-10H,1H3
InChIKey
OEYWSNRVIODBJL-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

29
Patents

245.06075 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06803 152.9
[M+Na]+ 268.04997 160.7
[M-H]- 244.05347 160.9
[M+NH4]+ 263.09457 171.3
[M+K]+ 284.02391 156.6
[M+H-H2O]+ 228.05801 146.0
[M+HCOO]- 290.05895 173.7
[M+CH3COO]- 304.07460 196.6
[M+Na-2H]- 266.03542 158.2
[M]+ 245.06020 155.3
[M]- 245.06130 155.3
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