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

26746
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

literature stripe

Patent stripe

patents stripe