CID 35944

3-amino-3'-nitrobiphenyl

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC(=CC(=C1)N)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(15)16/h1-8H,13H2
InChIKey
MFOBJFPOQKSSKE-UHFFFAOYSA-N
Compound name
3-(3-nitrophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

229
Patents

214.07423 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 143.8
[M+Na]+ 237.06345 150.8
[M-H]- 213.06695 150.5
[M+NH4]+ 232.10805 160.9
[M+K]+ 253.03739 143.2
[M+H-H2O]+ 197.07149 141.1
[M+HCOO]- 259.07243 170.3
[M+CH3COO]- 273.08808 183.7
[M+Na-2H]- 235.04890 151.7
[M]+ 214.07368 140.2
[M]- 214.07478 140.2
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