CID 85268

Biphenyl-2,4-ylenediamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

235
Patents

184.10005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 138.9
[M+Na]+ 207.089268 146.7
[M-H]- 183.092774 145.2
[M+NH4]+ 202.133873 157.8
[M+K]+ 223.063208 142.4
[M+H-H2O]+ 167.097310 132.0
[M+HCOO]- 229.098251 164.8
[M+CH3COO]- 243.113901 152.2
[M+Na-2H]- 205.074716 145.4
[M]+ 184.09950142 134.7
[M]- 184.10059858 134.7
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.