CID 6829

2-nitrobiphenyl

Structural Information

Molecular Formula
C12H9NO2
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
YOJKKXRJMXIKSR-UHFFFAOYSA-N
Compound name
1-nitro-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

1588
Patents

199.06332 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 140.3
[M+Na]+ 222.05254 156.7
[M+NH4]+ 217.09714 150.2
[M+K]+ 238.02648 151.1
[M-H]- 198.05604 147.1
[M+Na-2H]- 220.03799 151.3
[M]+ 199.06277 144.7
[M]- 199.06387 144.7
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