CID 2752775

118112-20-2

Structural Information

Molecular Formula
C8H5FO
SMILES
C1C2=C(C1=O)C(=CC=C2)F
InChI
InChI=1S/C8H5FO/c9-6-3-1-2-5-4-7(10)8(5)6/h1-3H,4H2
InChIKey
RUAXHQAMPKVKRL-UHFFFAOYSA-N
Compound name
5-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.03244 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03972 117.5
[M+Na]+ 159.02166 127.3
[M-H]- 135.02516 121.8
[M+NH4]+ 154.06626 134.6
[M+K]+ 174.99560 128.0
[M+H-H2O]+ 119.02970 107.4
[M+HCOO]- 181.03064 140.1
[M+CH3COO]- 195.04629 177.7
[M+Na-2H]- 157.00711 126.1
[M]+ 136.03189 126.1
[M]- 136.03299 126.1
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.