CID 602477

2-chloro-1,3-diisopropylbenzene

Structural Information

Molecular Formula
C12H17Cl
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)Cl
InChI
InChI=1S/C12H17Cl/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChIKey
JQFVRQDQQXRLBG-UHFFFAOYSA-N
Compound name
2-chloro-1,3-di(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

196.10188 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.109156 141.9
[M+Na]+ 219.091098 150.3
[M-H]- 195.094604 145.7
[M+NH4]+ 214.135703 162.8
[M+K]+ 235.065038 146.6
[M+H-H2O]+ 179.099140 137.5
[M+HCOO]- 241.100081 159.0
[M+CH3COO]- 255.115731 188.3
[M+Na-2H]- 217.076546 144.4
[M]+ 196.10133142 144.5
[M]- 196.10242858 144.5
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