CID 34254

2,6-dichlorostyrene

Structural Information

Molecular Formula
C8H6Cl2
SMILES
C=CC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InChIKey
YJCVRMIJBXTMNR-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4443
Patents

171.98465 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.99193 129.0
[M+Na]+ 194.97387 140.1
[M-H]- 170.97737 132.4
[M+NH4]+ 190.01847 151.1
[M+K]+ 210.94781 134.5
[M+H-H2O]+ 154.98191 125.8
[M+HCOO]- 216.98285 144.3
[M+CH3COO]- 230.99850 178.5
[M+Na-2H]- 192.95932 135.2
[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.