CID 7564

4-aminodiphenylamine

Structural Information

Molecular Formula
C12H12N2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
InChIKey
ATGUVEKSASEFFO-UHFFFAOYSA-N
Compound name
4-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

59
References

22084
Patents

184.10005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10733 138.0
[M+Na]+ 207.08927 144.8
[M-H]- 183.09277 144.4
[M+NH4]+ 202.13387 156.8
[M+K]+ 223.06321 140.8
[M+H-H2O]+ 167.09731 130.8
[M+HCOO]- 229.09825 164.5
[M+CH3COO]- 243.11390 151.2
[M+Na-2H]- 205.07472 146.3
[M]+ 184.09950 134.4
[M]- 184.10060 134.4
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