CID 54706524

Bms-538203

Structural Information

Molecular Formula
C12H12FNO5
SMILES
CON(CC1=CC=C(C=C1)F)C(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C12H12FNO5/c1-19-14(11(16)6-10(15)12(17)18)7-8-2-4-9(13)5-3-8/h2-6,15H,7H2,1H3,(H,17,18)/b10-6-
InChIKey
GACIOSIZKMLELV-POHAHGRESA-N
Compound name
(Z)-4-[(4-fluorophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

269.06995 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07723 156.5
[M+Na]+ 292.05917 161.9
[M-H]- 268.06267 157.3
[M+NH4]+ 287.10377 171.4
[M+K]+ 308.03311 161.0
[M+H-H2O]+ 252.06721 149.0
[M+HCOO]- 314.06815 176.3
[M+CH3COO]- 328.08380 196.7
[M+Na-2H]- 290.04462 156.9
[M]+ 269.06940 156.5
[M]- 269.07050 156.5
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