CID 74126

4-vinylbenzyl chloride

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

27
References

16582
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

literature stripe

Patent stripe

patents stripe