CID 2778525

6-fluoro-4-oxo-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid

Structural Information

Molecular Formula
C10H7FO4
SMILES
C1C(OC2=C(C1=O)C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H7FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)
InChIKey
BWXXHZKFLLLJQP-UHFFFAOYSA-N
Compound name
6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

210.03284 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe