CID 16377

O-chlorocumene

Structural Information

Molecular Formula
C9H11Cl
SMILES
CC(C)C1=CC=CC=C1Cl
InChI
InChI=1S/C9H11Cl/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChIKey
RNEMUWDQJSRDMQ-UHFFFAOYSA-N
Compound name
1-chloro-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2027
Patents

154.05493 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06221 129.4
[M+Na]+ 177.04415 144.3
[M+NH4]+ 172.08875 139.9
[M+K]+ 193.01809 136.4
[M-H]- 153.04765 132.8
[M+Na-2H]- 175.02960 137.9
[M]+ 154.05438 133.0
[M]- 154.05548 133.0
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