CID 82402

Alpha-chloro-p-nitrostyrene

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C=C(C1=CC=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H6ClNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-5H,1H2
InChIKey
XTDAYGDHDWTKHX-UHFFFAOYSA-N
Compound name
1-(1-chloroethenyl)-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

183.00871 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 132.9
[M+Na]+ 205.99793 147.6
[M+NH4]+ 201.04253 142.0
[M+K]+ 221.97187 143.3
[M-H]- 182.00143 136.5
[M+Na-2H]- 203.98338 140.2
[M]+ 183.00816 136.2
[M]- 183.00926 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe