CID 19318

N-ethyl-4-nitroaniline

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CCNC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O2/c1-2-9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3
InChIKey
XBNNLAWQCMDISJ-UHFFFAOYSA-N
Compound name
N-ethyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

494
Patents

166.07423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 132.1
[M+Na]+ 189.06345 145.0
[M+NH4]+ 184.10805 140.8
[M+K]+ 205.03739 141.2
[M-H]- 165.06695 136.3
[M+Na-2H]- 187.04890 139.4
[M]+ 166.07368 135.0
[M]- 166.07478 135.0
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