CID 2060093

2-amino-6-fluoro-4-oxo-4h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC2=C(C=C1F)C(=O)C(=C(O2)N)C=O
InChI
InChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)9(14)7(4-13)10(12)15-8/h1-4H,12H2
InChIKey
XXNARJSQOPJACL-UHFFFAOYSA-N
Compound name
2-amino-6-fluoro-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

207.03317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04045 137.4
[M+Na]+ 230.02239 149.4
[M-H]- 206.02589 142.3
[M+NH4]+ 225.06699 156.4
[M+K]+ 245.99633 147.0
[M+H-H2O]+ 190.03043 130.7
[M+HCOO]- 252.03137 161.0
[M+CH3COO]- 266.04702 188.1
[M+Na-2H]- 228.00784 145.2
[M]+ 207.03262 138.9
[M]- 207.03372 138.9
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