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]+ 171.057116 132.4
[M+Na]+ 193.039058 141.6
[M-H]- 169.042564 136.1
[M+NH4]+ 188.083663 154.1
[M+K]+ 209.012998 138.2
[M+H-H2O]+ 153.047100 127.8
[M+HCOO]- 215.048041 152.7
[M+CH3COO]- 229.063691 178.4
[M+Na-2H]- 191.024506 139.6
[M]+ 170.04929142 136.1
[M]- 170.05038858 136.1
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