CID 11413905

4-(chloromethyl)-n-phenylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

245.06075 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06803 153.2
[M+Na]+ 268.04997 160.8
[M-H]- 244.05347 159.7
[M+NH4]+ 263.09457 170.9
[M+K]+ 284.02391 155.3
[M+H-H2O]+ 228.05801 146.5
[M+HCOO]- 290.05895 173.5
[M+CH3COO]- 304.07460 193.1
[M+Na-2H]- 266.03542 159.2
[M]+ 245.06020 154.3
[M]- 245.06130 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

literature stripe

Patent stripe

patents stripe