CID 18350502

Methyl 2-amino-4-(trifluoromethoxy)benzoate

Structural Information

Molecular Formula
C9H8F3NO3
SMILES
COC(=O)C1=C(C=C(C=C1)OC(F)(F)F)N
InChI
InChI=1S/C9H8F3NO3/c1-15-8(14)6-3-2-5(4-7(6)13)16-9(10,11)12/h2-4H,13H2,1H3
InChIKey
ISJQDFAKDTWNOT-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(trifluoromethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

235.04562 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05290 150.6
[M+Na]+ 258.03484 158.1
[M+NH4]+ 253.07944 154.8
[M+K]+ 274.00878 154.7
[M-H]- 234.03834 146.7
[M+Na-2H]- 256.02029 153.2
[M]+ 235.04507 150.0
[M]- 235.04617 150.0
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