CID 82468482

1-(chloromethyl)-2-methoxy-3,5-dimethylbenzene

Structural Information

Molecular Formula
C10H13ClO
SMILES
CC1=CC(=C(C(=C1)CCl)OC)C
InChI
InChI=1S/C10H13ClO/c1-7-4-8(2)10(12-3)9(5-7)6-11/h4-5H,6H2,1-3H3
InChIKey
QUTIHWIAGSOSAJ-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2-methoxy-3,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 135.8
[M+Na]+ 207.05471 151.2
[M+NH4]+ 202.09931 145.7
[M+K]+ 223.02865 143.2
[M-H]- 183.05821 139.0
[M+Na-2H]- 205.04016 143.6
[M]+ 184.06494 139.4
[M]- 184.06604 139.4
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.