CID 13980146

1-(chloromethyl)-3-(methoxymethyl)benzene

Structural Information

Molecular Formula
C9H11ClO
SMILES
COCC1=CC(=CC=C1)CCl
InChI
InChI=1S/C9H11ClO/c1-11-7-9-4-2-3-8(5-9)6-10/h2-5H,6-7H2,1H3
InChIKey
UOPQKXSFMGIIAK-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3-(methoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

170.04984 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 132.1
[M+Na]+ 193.03906 146.9
[M+NH4]+ 188.08366 142.1
[M+K]+ 209.01300 138.7
[M-H]- 169.04256 135.2
[M+Na-2H]- 191.02451 140.5
[M]+ 170.04929 135.5
[M]- 170.05039 135.5
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