CID 69250

618-34-8

Structural Information

Molecular Formula
C8H7Cl
SMILES
C=C(C1=CC=CC=C1)Cl
InChI
InChI=1S/C8H7Cl/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2
InChIKey
XHAFIUUYXQFJEW-UHFFFAOYSA-N
Compound name
1-chloroethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7830
Patents

138.02362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.030896 123.8
[M+Na]+ 161.012838 132.6
[M-H]- 137.016344 127.5
[M+NH4]+ 156.057443 146.4
[M+K]+ 176.986778 128.8
[M+H-H2O]+ 121.020880 119.7
[M+HCOO]- 183.021821 143.4
[M+CH3COO]- 197.037471 172.3
[M+Na-2H]- 158.998286 131.1
[M]+ 138.02307142 124.1
[M]- 138.02416858 124.1
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