CID 11253147

258516-82-4

Structural Information

Molecular Formula
C13H19ClO
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OCCl
InChI
InChI=1S/C13H19ClO/c1-9(2)11-6-5-7-12(10(3)4)13(11)15-8-14/h5-7,9-10H,8H2,1-4H3
InChIKey
XYMTUFXXCMZHCU-UHFFFAOYSA-N
Compound name
2-(chloromethoxy)-1,3-di(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

226.11244 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.119716 150.1
[M+Na]+ 249.101658 158.0
[M-H]- 225.105164 153.7
[M+NH4]+ 244.146263 169.8
[M+K]+ 265.075598 154.6
[M+H-H2O]+ 209.109700 145.3
[M+HCOO]- 271.110641 167.1
[M+CH3COO]- 285.126291 193.2
[M+Na-2H]- 247.087106 152.0
[M]+ 226.11189142 154.5
[M]- 226.11298858 154.5
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