CID 74869

3,4-dichlorostyrene

Structural Information

Molecular Formula
C8H6Cl2
SMILES
C=CC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H6Cl2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1H2
InChIKey
BJQFWAQRPATHTR-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5982
Patents

171.98465 Da
Monoisotopic Mass

4.4
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

literature stripe

Patent stripe

patents stripe