CID 99840

3-bromodihydro-3-methylfuran-2(3h)-one

Structural Information

Molecular Formula
C5H7BrO2
SMILES
CC1(CCOC1=O)Br
InChI
InChI=1S/C5H7BrO2/c1-5(6)2-3-8-4(5)7/h2-3H2,1H3
InChIKey
MXEVTHILFFSWOG-UHFFFAOYSA-N
Compound name
3-bromo-3-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

177.96294 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 127.4
[M+Na]+ 200.95216 139.8
[M-H]- 176.95566 134.6
[M+NH4]+ 195.99676 153.4
[M+K]+ 216.92610 131.8
[M+H-H2O]+ 160.96020 129.8
[M+HCOO]- 222.96114 148.4
[M+CH3COO]- 236.97679 175.0
[M+Na-2H]- 198.93761 136.1
[M]+ 177.96239 145.8
[M]- 177.96349 145.8
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