CID 134937082

1-bromo-3-chloro-2-(methoxymethoxy)propane

Structural Information

Molecular Formula
C5H10BrClO2
SMILES
COCOC(CCl)CBr
InChI
InChI=1S/C5H10BrClO2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3
InChIKey
HPVNOGJSONQOIO-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-2-(methoxymethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.95528 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96256 135.3
[M+Na]+ 238.94450 147.2
[M-H]- 214.94800 138.4
[M+NH4]+ 233.98910 158.4
[M+K]+ 254.91844 136.4
[M+H-H2O]+ 198.95254 137.0
[M+HCOO]- 260.95348 152.1
[M+CH3COO]- 274.96913 183.4
[M+Na-2H]- 236.92995 142.5
[M]+ 215.95473 158.2
[M]- 215.95583 158.2
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

No patent data available for this compound.