CID 170249

Ar-vinylbenzyl chloride

Structural Information

Molecular Formula
C9H9Cl
SMILES
C=CC1=CC=CC(=C1)CCl
InChI
InChI=1S/C9H9Cl/c1-2-8-4-3-5-9(6-8)7-10/h2-6H,1,7H2
InChIKey
HMDQPBSDHHTRNI-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4864
Patents

152.03928 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.046556 127.8
[M+Na]+ 175.028498 137.3
[M-H]- 151.032004 131.6
[M+NH4]+ 170.073103 150.2
[M+K]+ 191.002438 132.9
[M+H-H2O]+ 135.036540 123.6
[M+HCOO]- 197.037481 148.0
[M+CH3COO]- 211.053131 175.6
[M+Na-2H]- 173.013946 135.1
[M]+ 152.03873142 129.4
[M]- 152.03982858 129.4
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.