CID 522323

N-(4-chlorophenyl)-1,2-phenylenediamine

Structural Information

Molecular Formula
C12H11ClN2
SMILES
C1=CC=C(C(=C1)N)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2
InChIKey
WEUBIWJPIRTWDF-UHFFFAOYSA-N
Compound name
2-N-(4-chlorophenyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

218.06108 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06836 146.1
[M+Na]+ 241.05030 154.6
[M-H]- 217.05380 152.5
[M+NH4]+ 236.09490 164.7
[M+K]+ 257.02424 148.8
[M+H-H2O]+ 201.05834 139.7
[M+HCOO]- 263.05928 168.0
[M+CH3COO]- 277.07493 159.2
[M+Na-2H]- 239.03575 152.9
[M]+ 218.06053 145.1
[M]- 218.06163 145.1
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