CID 211765

O-chloro-n-phenylbenzamidine

Structural Information

Molecular Formula
C13H11ClN2
SMILES
C1=CC=C(C=C1)N=C(C2=CC=CC=C2Cl)N
InChI
InChI=1S/C13H11ClN2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,(H2,15,16)
InChIKey
FMRPAAQOMPCOPX-UHFFFAOYSA-N
Compound name
2-chloro-N'-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.06108 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06836 150.3
[M+Na]+ 253.05030 158.0
[M-H]- 229.05380 157.7
[M+NH4]+ 248.09490 168.7
[M+K]+ 269.02424 152.6
[M+H-H2O]+ 213.05834 143.3
[M+HCOO]- 275.05928 172.6
[M+CH3COO]- 289.07493 194.9
[M+Na-2H]- 251.03575 156.5
[M]+ 230.06053 149.7
[M]- 230.06163 149.7
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