CID 103001

2-bromo-1,1-diethoxypropane

Structural Information

Molecular Formula
C7H15BrO2
SMILES
CCOC(C(C)Br)OCC
InChI
InChI=1S/C7H15BrO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5H2,1-3H3
InChIKey
AHIUAFXWZKCJLR-UHFFFAOYSA-N
Compound name
2-bromo-1,1-diethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

210.02554 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03282 141.4
[M+Na]+ 233.01476 151.1
[M-H]- 209.01826 144.2
[M+NH4]+ 228.05936 163.7
[M+K]+ 248.98870 142.5
[M+H-H2O]+ 193.02280 141.7
[M+HCOO]- 255.02374 160.8
[M+CH3COO]- 269.03939 186.2
[M+Na-2H]- 231.00021 146.4
[M]+ 210.02499 162.7
[M]- 210.02609 162.7
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