CID 8407

2-nitrodiphenylamine

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
InChIKey
RUKISNQKOIKZGT-UHFFFAOYSA-N
Compound name
2-nitro-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

2080
Patents

214.07423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 143.3
[M+Na]+ 237.06345 149.3
[M-H]- 213.06695 150.1
[M+NH4]+ 232.10805 160.3
[M+K]+ 253.03739 142.1
[M+H-H2O]+ 197.07149 140.3
[M+HCOO]- 259.07243 170.4
[M+CH3COO]- 273.08808 183.4
[M+Na-2H]- 235.04890 152.9
[M]+ 214.07368 140.3
[M]- 214.07478 140.3
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