CID 18942321

Pacific blue

Structural Information

Molecular Formula
C10H4F2O5
SMILES
C1=C2C=C(C(=O)OC2=C(C(=C1F)O)F)C(=O)O
InChI
InChI=1S/C10H4F2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)6(12)7(5)13/h1-2,13H,(H,14,15)
InChIKey
VYNDHICBIRRPFP-UHFFFAOYSA-N
Compound name
6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11596
Patents

242.00269 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.009966 141.6
[M+Na]+ 264.991908 153.8
[M-H]- 240.995414 143.3
[M+NH4]+ 260.036513 158.2
[M+K]+ 280.965848 151.6
[M+H-H2O]+ 224.999950 134.5
[M+HCOO]- 287.000891 160.0
[M+CH3COO]- 301.016541 188.4
[M+Na-2H]- 262.977356 146.7
[M]+ 242.00214142 142.6
[M]- 242.00323858 142.6
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