CID 73994636

953062-31-2

Structural Information

Molecular Formula
C11H10F3NO3
SMILES
CN(CC(=O)O)C1=C(C=C(C=C1)C(F)(F)F)C=O
InChI
InChI=1S/C11H10F3NO3/c1-15(5-10(17)18)9-3-2-8(11(12,13)14)4-7(9)6-16/h2-4,6H,5H2,1H3,(H,17,18)
InChIKey
CYOITVYIQFZMNI-UHFFFAOYSA-N
Compound name
2-[2-formyl-N-methyl-4-(trifluoromethyl)anilino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.06128 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06856 158.3
[M+Na]+ 284.05050 165.4
[M+NH4]+ 279.09510 161.9
[M+K]+ 300.02444 162.0
[M-H]- 260.05400 154.0
[M+Na-2H]- 282.03595 160.4
[M]+ 261.06073 157.6
[M]- 261.06183 157.6
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

No patent data available for this compound.