CID 135511138

Schembl13754868

Structural Information

Molecular Formula
C17H11F2NO7
SMILES
C1=CC(=NC=C1OCC2=C(C(=C(C=C2)F)C(=O)C(=O)O)F)/C=C(/C(=O)O)\O
InChI
InChI=1S/C17H11F2NO7/c18-11-4-1-8(14(19)13(11)15(22)17(25)26)7-27-10-3-2-9(20-6-10)5-12(21)16(23)24/h1-6,21H,7H2,(H,23,24)(H,25,26)/b12-5-
InChIKey
BYNYCFYHAJOFLP-XGICHPGQSA-N
Compound name
(Z)-3-[5-[(2,4-difluoro-3-oxalophenyl)methoxy]pyridin-2-yl]-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

379.05035 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.05763 178.4
[M+Na]+ 402.03957 185.1
[M-H]- 378.04307 177.7
[M+NH4]+ 397.08417 186.1
[M+K]+ 418.01351 181.6
[M+H-H2O]+ 362.04761 168.5
[M+HCOO]- 424.04855 191.9
[M+CH3COO]- 438.06420 211.9
[M+Na-2H]- 400.02502 175.5
[M]+ 379.04980 177.6
[M]- 379.05090 177.6
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