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 143.3
[M+Na]+ 239.04455 152.4
[M-H]- 215.04805 147.3
[M+NH4]+ 234.08915 163.2
[M+K]+ 255.01849 150.3
[M+H-H2O]+ 199.05259 138.7
[M+HCOO]- 261.05353 162.2
[M+CH3COO]- 275.06918 185.7
[M+Na-2H]- 237.03000 150.7
[M]+ 216.05478 149.9
[M]- 216.05588 149.9
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.