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

25
Patents

245.06075 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.068026 153.2
[M+Na]+ 268.049968 160.8
[M-H]- 244.053474 159.7
[M+NH4]+ 263.094573 170.9
[M+K]+ 284.023908 155.3
[M+H-H2O]+ 228.058010 146.5
[M+HCOO]- 290.058951 173.5
[M+CH3COO]- 304.074601 193.1
[M+Na-2H]- 266.035416 159.2
[M]+ 245.06020142 154.3
[M]- 245.06129858 154.3
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