CID 6476398

(z)-6-(2-fluorophenyl)-2-hydroxy-4,6-dioxo-hex-2-enoic acid

Structural Information

Molecular Formula
C12H9FO5
SMILES
C1=CC=C(C(=C1)C(=O)CC(=O)/C=C(/C(=O)O)\O)F
InChI
InChI=1S/C12H9FO5/c13-9-4-2-1-3-8(9)10(15)5-7(14)6-11(16)12(17)18/h1-4,6,16H,5H2,(H,17,18)/b11-6-
InChIKey
CIDAVHYQYGAGDZ-WDZFZDKYSA-N
Compound name
(Z)-6-(2-fluorophenyl)-2-hydroxy-4,6-dioxohex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

252.0434 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.05068 150.9
[M+Na]+ 275.03262 157.0
[M-H]- 251.03612 150.4
[M+NH4]+ 270.07722 165.9
[M+K]+ 291.00656 154.5
[M+H-H2O]+ 235.04066 144.2
[M+HCOO]- 297.04160 168.3
[M+CH3COO]- 311.05725 189.0
[M+Na-2H]- 273.01807 150.5
[M]+ 252.04285 149.2
[M]- 252.04395 149.2
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