CID 21450616

N1-(3-chlorophenyl)benzene-1,2-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

218.06108 Da
Monoisotopic Mass

4.8
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

No literature data available for this compound.

Patent stripe

patents stripe