CID 61803212

1-chloro-3-(trimethoxymethyl)benzene

Structural Information

Molecular Formula
C10H13ClO3
SMILES
COC(C1=CC(=CC=C1)Cl)(OC)OC
InChI
InChI=1S/C10H13ClO3/c1-12-10(13-2,14-3)8-5-4-6-9(11)7-8/h4-7H,1-3H3
InChIKey
MEODDOWVHXXULG-UHFFFAOYSA-N
Compound name
1-chloro-3-(trimethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05533 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06261 143.5
[M+Na]+ 239.04455 156.7
[M+NH4]+ 234.08915 151.9
[M+K]+ 255.01849 150.6
[M-H]- 215.04805 144.8
[M+Na-2H]- 237.03000 150.5
[M]+ 216.05478 146.1
[M]- 216.05588 146.1
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

No patent data available for this compound.