CID 10400412

3-[({(1e)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid

Structural Information

Molecular Formula
C11H10F3NO3
SMILES
C1=CC=C(C(=C1)/C=N/OCCC(=O)O)C(F)(F)F
InChI
InChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+
InChIKey
NBNFAYOWJREHBN-VIZOYTHASA-N
Compound name
3-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.06128 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06856 152.4
[M+Na]+ 284.05050 159.8
[M-H]- 260.05400 152.0
[M+NH4]+ 279.09510 168.7
[M+K]+ 300.02444 157.4
[M+H-H2O]+ 244.05854 143.5
[M+HCOO]- 306.05948 172.6
[M+CH3COO]- 320.07513 195.8
[M+Na-2H]- 282.03595 156.9
[M]+ 261.06073 150.7
[M]- 261.06183 150.7
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