CID 135511143

Schembl13754894

Structural Information

Molecular Formula
C15H11F2NO4
SMILES
C1=CC(=C(C=C1F)F)COC2=CN=C(C=C2)/C=C(/C(=O)O)\O
InChI
InChI=1S/C15H11F2NO4/c16-10-2-1-9(13(17)5-10)8-22-12-4-3-11(18-7-12)6-14(19)15(20)21/h1-7,19H,8H2,(H,20,21)/b14-6-
InChIKey
LXOITZKDRANHIP-NSIKDUERSA-N
Compound name
(Z)-3-[5-[(2,4-difluorophenyl)methoxy]pyridin-2-yl]-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.0656 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.07288 165.4
[M+Na]+ 330.05482 173.2
[M-H]- 306.05832 165.8
[M+NH4]+ 325.09942 177.2
[M+K]+ 346.02876 168.5
[M+H-H2O]+ 290.06286 155.6
[M+HCOO]- 352.06380 182.1
[M+CH3COO]- 366.07945 199.4
[M+Na-2H]- 328.04027 166.4
[M]+ 307.06505 163.6
[M]- 307.06615 163.6
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