CID 10774141

80715-22-6

Structural Information

Molecular Formula
C5H5BrO3
SMILES
CC1=C(OC(=O)O1)CBr
InChI
InChI=1S/C5H5BrO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
InChIKey
GWFALVUXAGYMHR-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-5-methyl-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1300
Patents

191.94221 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94949 128.4
[M+Na]+ 214.93143 142.6
[M-H]- 190.93493 136.8
[M+NH4]+ 209.97603 151.2
[M+K]+ 230.90537 135.4
[M+H-H2O]+ 174.93947 129.8
[M+HCOO]- 236.94041 151.3
[M+CH3COO]- 250.95606 177.9
[M+Na-2H]- 212.91688 137.8
[M]+ 191.94166 151.3
[M]- 191.94276 151.3
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