CID 9074

4-nitrosodiphenylamine

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O
InChI
InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
InChIKey
OIJHFHYPXWSVPF-UHFFFAOYSA-N
Compound name
4-nitroso-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

1406
Patents

198.07932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 139.6
[M+Na]+ 221.06854 147.1
[M-H]- 197.07204 148.0
[M+NH4]+ 216.11314 158.7
[M+K]+ 237.04248 144.3
[M+H-H2O]+ 181.07658 131.8
[M+HCOO]- 243.07752 168.7
[M+CH3COO]- 257.09317 190.7
[M+Na-2H]- 219.05399 149.4
[M]+ 198.07877 139.6
[M]- 198.07987 139.6
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