CID 271893

1-(2-chloroethyl)-2-methylbenzene

Structural Information

Molecular Formula
C9H11Cl
SMILES
CC1=CC=CC=C1CCCl
InChI
InChI=1S/C9H11Cl/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7H2,1H3
InChIKey
IPQIQERVBHGGCH-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

154.05493 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06221 129.1
[M+Na]+ 177.04415 144.4
[M+NH4]+ 172.08875 139.7
[M+K]+ 193.01809 135.6
[M-H]- 153.04765 132.7
[M+Na-2H]- 175.02960 138.0
[M]+ 154.05438 132.8
[M]- 154.05548 132.8
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

patents stripe