CID 79604

Alpha-nitrostyrene

Structural Information

Molecular Formula
C8H7NO2
SMILES
C=C(C1=CC=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2
InChIKey
YMXDOZWKTUBYLU-UHFFFAOYSA-N
Compound name
1-nitroethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

149.04768 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 127.8
[M+Na]+ 172.03690 141.4
[M+NH4]+ 167.08150 136.7
[M+K]+ 188.01084 137.7
[M-H]- 148.04040 131.3
[M+Na-2H]- 170.02235 135.3
[M]+ 149.04713 130.6
[M]- 149.04823 130.6
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