CID 78068

2-bromomethyl-1,3-dioxolane

Structural Information

Molecular Formula
C4H7BrO2
SMILES
C1COC(O1)CBr
InChI
InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChIKey
CKIIJIDEWWXQEA-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1552
Patents

165.96294 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.97022 128.5
[M+Na]+ 188.95216 139.3
[M-H]- 164.95566 135.6
[M+NH4]+ 183.99676 151.6
[M+K]+ 204.92610 132.8
[M+H-H2O]+ 148.96020 129.8
[M+HCOO]- 210.96114 148.6
[M+CH3COO]- 224.97679 172.5
[M+Na-2H]- 186.93761 137.6
[M]+ 165.96239 146.9
[M]- 165.96349 146.9
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