CID 16772727

5-amino-2-chloro-n-phenylbenzamide

Structural Information

Molecular Formula
C13H11ClN2O
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C13H11ClN2O/c14-12-7-6-9(15)8-11(12)13(17)16-10-4-2-1-3-5-10/h1-8H,15H2,(H,16,17)
InChIKey
MXFQEDMUZFREDO-UHFFFAOYSA-N
Compound name
5-amino-2-chloro-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

246.05598 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.063256 153.5
[M+Na]+ 269.045198 161.6
[M-H]- 245.048704 160.0
[M+NH4]+ 264.089803 170.8
[M+K]+ 285.019138 156.1
[M+H-H2O]+ 229.053240 146.9
[M+HCOO]- 291.054181 174.5
[M+CH3COO]- 305.069831 195.7
[M+Na-2H]- 267.030646 158.5
[M]+ 246.05543142 152.9
[M]- 246.05652858 152.9
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