CID 54772591

1312135-86-6

Structural Information

Molecular Formula
C10H7FO4
SMILES
C1C(OC(=O)C2=C1C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H7FO4/c11-6-1-2-7-5(3-6)4-8(9(12)13)15-10(7)14/h1-3,8H,4H2,(H,12,13)
InChIKey
ULGXENVTSRRYGN-UHFFFAOYSA-N
Compound name
6-fluoro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.03284 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04012 137.9
[M+Na]+ 233.02206 146.9
[M-H]- 209.02556 141.0
[M+NH4]+ 228.06666 156.0
[M+K]+ 248.99600 145.6
[M+H-H2O]+ 193.03010 131.7
[M+HCOO]- 255.03104 156.0
[M+CH3COO]- 269.04669 183.7
[M+Na-2H]- 231.00751 143.7
[M]+ 210.03229 136.8
[M]- 210.03339 136.8
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.