CID 7016570

(+)-4'-fluorotartranilic acid

Structural Information

Molecular Formula
C10H10FNO5
SMILES
C1=CC(=CC=C1NC(=O)[C@@H]([C@H](C(=O)O)O)O)F
InChI
InChI=1S/C10H10FNO5/c11-5-1-3-6(4-2-5)12-9(15)7(13)8(14)10(16)17/h1-4,7-8,13-14H,(H,12,15)(H,16,17)/t7-,8-/m1/s1
InChIKey
GEDAGSYSBWTSHH-HTQZYQBOSA-N
Compound name
(2R,3R)-4-(4-fluoroanilino)-2,3-dihydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.0543 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06158 149.3
[M+Na]+ 266.04352 154.2
[M-H]- 242.04702 147.6
[M+NH4]+ 261.08812 163.7
[M+K]+ 282.01746 152.8
[M+H-H2O]+ 226.05156 142.4
[M+HCOO]- 288.05250 166.4
[M+CH3COO]- 302.06815 187.7
[M+Na-2H]- 264.02897 149.6
[M]+ 243.05375 145.6
[M]- 243.05485 145.6
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

patents stripe