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]+ 185.072766 135.5
[M+Na]+ 207.054708 146.2
[M-H]- 183.058214 139.9
[M+NH4]+ 202.099313 157.4
[M+K]+ 223.028648 142.7
[M+H-H2O]+ 167.062750 131.4
[M+HCOO]- 229.063691 155.5
[M+CH3COO]- 243.079341 183.7
[M+Na-2H]- 205.040156 140.9
[M]+ 184.06494142 140.4
[M]- 184.06603858 140.4
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.