CID 71648208

Methyl 4-(methyl(trifluoromethyl)amino)benzoate

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
CN(C1=CC=C(C=C1)C(=O)OC)C(F)(F)F
InChI
InChI=1S/C10H10F3NO2/c1-14(10(11,12)13)8-5-3-7(4-6-8)9(15)16-2/h3-6H,1-2H3
InChIKey
USEZNNBGYVLPJT-UHFFFAOYSA-N
Compound name
methyl 4-[methyl(trifluoromethyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06636 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 151.9
[M+Na]+ 256.05558 159.8
[M+NH4]+ 251.10018 156.9
[M+K]+ 272.02952 155.8
[M-H]- 232.05908 148.9
[M+Na-2H]- 254.04103 155.6
[M]+ 233.06581 151.8
[M]- 233.06691 151.8
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.