CID 14906

2-chlorostyrene

Structural Information

Molecular Formula
C8H7Cl
SMILES
C=CC1=CC=CC=C1Cl
InChI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKey
ISRGONDNXBCDBM-UHFFFAOYSA-N
Compound name
1-chloro-2-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

48824
Patents

138.02362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03090 123.8
[M+Na]+ 161.01284 139.3
[M+NH4]+ 156.05744 134.3
[M+K]+ 176.98678 130.7
[M-H]- 137.01634 127.2
[M+Na-2H]- 158.99829 132.8
[M]+ 138.02307 127.4
[M]- 138.02417 127.4
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