CID 178244320

4-fluoro-3-hydroxy-6-(1-hydroxycyclobutyl)cyclohexa-2,4-dien-1-one

Structural Information

Molecular Formula
C10H11FO3
SMILES
C1CC(C1)(C2C=C(C(=CC2=O)O)F)O
InChI
InChI=1S/C10H11FO3/c11-7-4-6(8(12)5-9(7)13)10(14)2-1-3-10/h4-6,13-14H,1-3H2
InChIKey
BRAOCWDXHLIDAH-UHFFFAOYSA-N
Compound name
4-fluoro-3-hydroxy-6-(1-hydroxycyclobutyl)cyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06923 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.076506 138.5
[M+Na]+ 221.058448 145.8
[M-H]- 197.061954 141.9
[M+NH4]+ 216.103053 152.2
[M+K]+ 237.032388 145.9
[M+H-H2O]+ 181.066490 128.3
[M+HCOO]- 243.067431 156.3
[M+CH3COO]- 257.083081 182.1
[M+Na-2H]- 219.043896 142.4
[M]+ 198.06868142 143.5
[M]- 198.06977858 143.5
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

No patent data available for this compound.