CID 326602

1-bromo-3-chloro-2,2-dimethoxypropane

Structural Information

Molecular Formula
C5H10BrClO2
SMILES
COC(CCl)(CBr)OC
InChI
InChI=1S/C5H10BrClO2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3
InChIKey
FWGJNRCQZRSHGJ-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-2,2-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.95528 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96256 136.0
[M+Na]+ 238.94450 148.6
[M-H]- 214.94800 139.4
[M+NH4]+ 233.98910 159.3
[M+K]+ 254.91844 137.6
[M+H-H2O]+ 198.95254 138.1
[M+HCOO]- 260.95348 152.3
[M+CH3COO]- 274.96913 183.0
[M+Na-2H]- 236.92995 144.9
[M]+ 215.95473 159.1
[M]- 215.95583 159.1
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