CID 566447

3-bromo-2-hydroxycyclopent-2-en-1-one

Structural Information

Molecular Formula
C5H5BrO2
SMILES
C1CC(=O)C(=C1Br)O
InChI
InChI=1S/C5H5BrO2/c6-3-1-2-4(7)5(3)8/h8H,1-2H2
InChIKey
PXQWRIXZCNCEIX-UHFFFAOYSA-N
Compound name
3-bromo-2-hydroxycyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.9473 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.95458 128.0
[M+Na]+ 198.93652 140.9
[M-H]- 174.94002 133.6
[M+NH4]+ 193.98112 153.0
[M+K]+ 214.91046 130.6
[M+H-H2O]+ 158.94456 129.4
[M+HCOO]- 220.94550 149.7
[M+CH3COO]- 234.96115 173.7
[M+Na-2H]- 196.92197 134.2
[M]+ 175.94675 145.2
[M]- 175.94785 145.2
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