CID 69156

2-ethylnitrobenzene

Structural Information

Molecular Formula
C8H9NO2
SMILES
CCC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3
InChIKey
PXWYZLWEKCMTEZ-UHFFFAOYSA-N
Compound name
1-ethyl-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

1870
Patents

151.06332 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.2
[M+Na]+ 174.05254 142.4
[M+NH4]+ 169.09714 137.5
[M+K]+ 190.02648 138.2
[M-H]- 150.05604 132.2
[M+Na-2H]- 172.03799 135.9
[M]+ 151.06277 131.3
[M]- 151.06387 131.3
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