CID 70281

934-53-2

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2491
Patents

154.05493 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.062206 129.8
[M+Na]+ 177.044148 138.6
[M-H]- 153.047654 133.6
[M+NH4]+ 172.088753 152.0
[M+K]+ 193.018088 135.1
[M+H-H2O]+ 137.052190 125.8
[M+HCOO]- 199.053131 148.3
[M+CH3COO]- 213.068781 175.7
[M+Na-2H]- 175.029596 138.3
[M]+ 154.05438142 131.3
[M]- 154.05547858 131.3
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