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

2
Patents

216.05533 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.062606 143.3
[M+Na]+ 239.044548 152.4
[M-H]- 215.048054 147.3
[M+NH4]+ 234.089153 163.2
[M+K]+ 255.018488 150.3
[M+H-H2O]+ 199.052590 138.7
[M+HCOO]- 261.053531 162.2
[M+CH3COO]- 275.069181 185.7
[M+Na-2H]- 237.029996 150.7
[M]+ 216.05478142 149.9
[M]- 216.05587858 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

patents stripe