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 134.4
[M+Na]+ 205.99793 142.6
[M-H]- 182.00143 138.1
[M+NH4]+ 201.04253 154.3
[M+K]+ 221.97187 135.3
[M+H-H2O]+ 166.00597 134.8
[M+HCOO]- 228.00691 155.2
[M+CH3COO]- 242.02256 174.4
[M+Na-2H]- 203.98338 141.3
[M]+ 183.00816 134.1
[M]- 183.00926 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