CID 22601282

3-(chloromethyl)-n-phenylbenzamide

Structural Information

Molecular Formula
C14H12ClNO
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)CCl
InChI
InChI=1S/C14H12ClNO/c15-10-11-5-4-6-12(9-11)14(17)16-13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17)
InChIKey
NNYXVNDGOOLSLC-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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 153.9
[M+Na]+ 268.04997 169.1
[M+NH4]+ 263.09457 163.4
[M+K]+ 284.02391 160.2
[M-H]- 244.05347 159.4
[M+Na-2H]- 266.03542 164.3
[M]+ 245.06020 158.1
[M]- 245.06130 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe