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

93
Patents

184.06549 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072766 137.1
[M+Na]+ 207.054708 145.6
[M-H]- 183.058214 140.8
[M+NH4]+ 202.099313 158.2
[M+K]+ 223.028648 142.5
[M+H-H2O]+ 167.062750 132.5
[M+HCOO]- 229.063691 156.1
[M+CH3COO]- 243.079341 182.2
[M+Na-2H]- 205.040156 142.5
[M]+ 184.06494142 140.6
[M]- 184.06603858 140.6
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