CID 6483863

2-(3-chloropropoxy)-1,4-dimethylbenzene

Structural Information

Molecular Formula
C11H15ClO
SMILES
CC1=CC(=C(C=C1)C)OCCCCl
InChI
InChI=1S/C11H15ClO/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h4-5,8H,3,6-7H2,1-2H3
InChIKey
KKKALMTZUKVBQZ-UHFFFAOYSA-N
Compound name
2-(3-chloropropoxy)-1,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08115 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08843 141.2
[M+Na]+ 221.07037 150.5
[M-H]- 197.07387 144.9
[M+NH4]+ 216.11497 162.1
[M+K]+ 237.04431 146.6
[M+H-H2O]+ 181.07841 136.5
[M+HCOO]- 243.07935 160.8
[M+CH3COO]- 257.09500 185.5
[M+Na-2H]- 219.05582 146.6
[M]+ 198.08060 146.0
[M]- 198.08170 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.