CID 12249109

40141-12-6

Structural Information

Molecular Formula
C10H13ClO
SMILES
CC(C)OC1=CC=C(C=C1)CCl
InChI
InChI=1S/C10H13ClO/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey
MNWIWTZKCATVSP-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

184.06549 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 137.0
[M+Na]+ 207.05471 151.2
[M+NH4]+ 202.09931 146.7
[M+K]+ 223.02865 143.6
[M-H]- 183.05821 139.8
[M+Na-2H]- 205.04016 144.7
[M]+ 184.06494 140.2
[M]- 184.06604 140.2
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

patents stripe