CID 32885

2-chloro-1,3-dimethylbenzene

Structural Information

Molecular Formula
C8H9Cl
SMILES
CC1=C(C(=CC=C1)C)Cl
InChI
InChI=1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey
VDXLAYAQGYCQEO-UHFFFAOYSA-N
Compound name
2-chloro-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1203
Patents

140.03928 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04656 123.9
[M+Na]+ 163.02850 139.8
[M+NH4]+ 158.07310 134.7
[M+K]+ 179.00244 131.5
[M-H]- 139.03200 127.7
[M+Na-2H]- 161.01395 132.9
[M]+ 140.03873 127.8
[M]- 140.03983 127.8
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