CID 144702

2-chloro-1,1,1-trimethoxyethane

Structural Information

Molecular Formula
C5H11ClO3
SMILES
COC(CCl)(OC)OC
InChI
InChI=1S/C5H11ClO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3
InChIKey
NPEIUNVTLXEOLT-UHFFFAOYSA-N
Compound name
2-chloro-1,1,1-trimethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1162
Patents

154.03967 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04695 128.0
[M+Na]+ 177.02889 136.8
[M-H]- 153.03239 128.7
[M+NH4]+ 172.07349 150.3
[M+K]+ 193.00283 136.5
[M+H-H2O]+ 137.03693 125.0
[M+HCOO]- 199.03787 146.8
[M+CH3COO]- 213.05352 174.4
[M+Na-2H]- 175.01434 136.0
[M]+ 154.03912 134.6
[M]- 154.04022 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe