CID 12142

1331-28-8

Structural Information

Molecular Formula
C8H7Cl
SMILES
C1=CC=C(C=C1)C=CCl
InChI
InChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H
InChIKey
SBYMUDUGTIKLCR-UHFFFAOYSA-N
Compound name
2-chloroethenylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

112230
Patents

138.02362 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03090 124.0
[M+Na]+ 161.01284 133.1
[M-H]- 137.01634 127.6
[M+NH4]+ 156.05744 146.7
[M+K]+ 176.98678 128.9
[M+H-H2O]+ 121.02088 119.8
[M+HCOO]- 183.02182 144.6
[M+CH3COO]- 197.03747 170.8
[M+Na-2H]- 158.99829 132.6
[M]+ 138.02307 124.8
[M]- 138.02417 124.8
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