CID 235549

4'-chloro-2-nitrobiphenyl

Structural Information

Molecular Formula
C12H8ClNO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H8ClNO2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(15)16/h1-8H
InChIKey
OMNWKPZIFZJANV-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

233.02435 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03163 148.2
[M+Na]+ 256.01357 156.5
[M-H]- 232.01707 154.9
[M+NH4]+ 251.05817 165.9
[M+K]+ 271.98751 147.8
[M+H-H2O]+ 216.02161 146.6
[M+HCOO]- 278.02255 169.6
[M+CH3COO]- 292.03820 183.6
[M+Na-2H]- 253.99902 155.8
[M]+ 233.02380 148.5
[M]- 233.02490 148.5
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