CID 14910313

5-bromo-2,2-dimethyl-1,3-dioxolan-4-one

Structural Information

Molecular Formula
C5H7BrO3
SMILES
CC1(OC(C(=O)O1)Br)C
InChI
InChI=1S/C5H7BrO3/c1-5(2)8-3(6)4(7)9-5/h3H,1-2H3
InChIKey
DZKXKWQAIUPQIR-UHFFFAOYSA-N
Compound name
5-bromo-2,2-dimethyl-1,3-dioxolan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

193.95786 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.96514 129.0
[M+Na]+ 216.94708 142.1
[M-H]- 192.95058 137.1
[M+NH4]+ 211.99168 153.4
[M+K]+ 232.92102 135.3
[M+H-H2O]+ 176.95512 131.6
[M+HCOO]- 238.95606 149.2
[M+CH3COO]- 252.97171 178.1
[M+Na-2H]- 214.93253 138.1
[M]+ 193.95731 149.7
[M]- 193.95841 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe