CID 11062972

3-bromotetrahydro-2h-pyran-2-one

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C1CC(C(=O)OC1)Br
InChI
InChI=1S/C5H7BrO2/c6-4-2-1-3-8-5(4)7/h4H,1-3H2
InChIKey
OFGZDTPHFDBLGJ-UHFFFAOYSA-N
Compound name
3-bromooxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

177.96294 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 127.1
[M+Na]+ 200.95216 129.6
[M+NH4]+ 195.99676 132.4
[M+K]+ 216.92610 130.5
[M-H]- 176.95566 128.5
[M+Na-2H]- 198.93761 129.5
[M]+ 177.96239 126.6
[M]- 177.96349 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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