CID 9578701

Brn 2472303

Structural Information

Molecular Formula
C12H12F3NO3
SMILES
C/C(=N\OCC(=O)O)/CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C12H12F3NO3/c1-8(16-19-7-11(17)18)5-9-3-2-4-10(6-9)12(13,14)15/h2-4,6H,5,7H2,1H3,(H,17,18)/b16-8+
InChIKey
SRZZWQGRDDKVSZ-LZYBPNLTSA-N
Compound name
2-[(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.07693 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08421 157.0
[M+Na]+ 298.06615 163.8
[M-H]- 274.06965 156.6
[M+NH4]+ 293.11075 172.7
[M+K]+ 314.04009 161.6
[M+H-H2O]+ 258.07419 148.1
[M+HCOO]- 320.07513 175.9
[M+CH3COO]- 334.09078 199.6
[M+Na-2H]- 296.05160 159.8
[M]+ 275.07638 155.0
[M]- 275.07748 155.0
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