CID 93256

(2,2-dichloroethenyl)benzene

Structural Information

Molecular Formula
C8H6Cl2
SMILES
C1=CC=C(C=C1)C=C(Cl)Cl
InChI
InChI=1S/C8H6Cl2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H
InChIKey
CISIJYCKDJSTMX-UHFFFAOYSA-N
Compound name
2,2-dichloroethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27965
Patents

171.98465 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.99193 130.3
[M+Na]+ 194.97387 139.5
[M-H]- 170.97737 133.2
[M+NH4]+ 190.01847 151.8
[M+K]+ 210.94781 134.1
[M+H-H2O]+ 154.98191 126.7
[M+HCOO]- 216.98285 144.7
[M+CH3COO]- 230.99850 176.5
[M+Na-2H]- 192.95932 136.7
[M]+ 171.98410 131.5
[M]- 171.98520 131.5
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

No patent data available for this compound.