CID 82402

Styrene, alpha-chloro-p-nitro-

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

5
Patents

183.00871 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.015986 134.4
[M+Na]+ 205.997928 142.6
[M-H]- 182.001434 138.1
[M+NH4]+ 201.042533 154.3
[M+K]+ 221.971868 135.3
[M+H-H2O]+ 166.005970 134.8
[M+HCOO]- 228.006911 155.2
[M+CH3COO]- 242.022561 174.4
[M+Na-2H]- 203.983376 141.3
[M]+ 183.00816142 134.1
[M]- 183.00925858 134.1
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