CID 7070

3,3'-dichlorobenzidine

Structural Information

Molecular Formula
C12H10Cl2N2
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N
InChI
InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
InChIKey
HUWXDEQWWKGHRV-UHFFFAOYSA-N
Compound name
4-(4-amino-3-chlorophenyl)-2-chloroaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

94
References

9248
Patents

252.02211 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02939 154.3
[M+Na]+ 275.01133 165.1
[M-H]- 251.01483 160.1
[M+NH4]+ 270.05593 172.3
[M+K]+ 290.98527 157.7
[M+H-H2O]+ 235.01937 149.2
[M+HCOO]- 297.02031 170.4
[M+CH3COO]- 311.03596 166.9
[M+Na-2H]- 272.99678 157.7
[M]+ 252.02156 154.5
[M]- 252.02266 154.5
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

No patent data available for this compound.