CID 7102

4-aminobiphenyl

Structural Information

Molecular Formula
C12H11N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
InChIKey
DMVOXQPQNTYEKQ-UHFFFAOYSA-N
Compound name
4-phenylaniline
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

480
References

16694
Patents

169.08914 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09642 134.5
[M+Na]+ 192.07836 142.2
[M-H]- 168.08186 141.0
[M+NH4]+ 187.12296 154.3
[M+K]+ 208.05230 138.3
[M+H-H2O]+ 152.08640 127.8
[M+HCOO]- 214.08734 160.0
[M+CH3COO]- 228.10299 148.3
[M+Na-2H]- 190.06381 142.4
[M]+ 169.08859 131.6
[M]- 169.08969 131.6
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.