CID 20446250

N1-(2-chlorophenyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C12H11ClN2
SMILES
C1=CC=C(C(=C1)N)NC2=CC=CC=C2Cl
InChI
InChI=1S/C12H11ClN2/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H,14H2
InChIKey
PLURDDHPOJPXFG-UHFFFAOYSA-N
Compound name
2-N-(2-chlorophenyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

218.06108 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.068356 146.1
[M+Na]+ 241.050298 154.6
[M-H]- 217.053804 152.5
[M+NH4]+ 236.094903 164.7
[M+K]+ 257.024238 148.8
[M+H-H2O]+ 201.058340 139.7
[M+HCOO]- 263.059281 168.0
[M+CH3COO]- 277.074931 159.2
[M+Na-2H]- 239.035746 152.9
[M]+ 218.06053142 145.1
[M]- 218.06162858 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

No literature data available for this compound.

Patent stripe

patents stripe