CID 11746172

2-amino-3-(trifluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C8H6F3NO3
SMILES
C1=CC(=C(C(=C1)OC(F)(F)F)N)C(=O)O
InChI
InChI=1S/C8H6F3NO3/c9-8(10,11)15-5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
InChIKey
BQPQFVVEWXYRMH-UHFFFAOYSA-N
Compound name
2-amino-3-(trifluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

221.02998 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03726 146.0
[M+Na]+ 244.01920 153.2
[M+NH4]+ 239.06380 150.0
[M+K]+ 259.99314 150.4
[M-H]- 220.02270 141.7
[M+Na-2H]- 242.00465 148.4
[M]+ 221.02943 145.2
[M]- 221.03053 145.2
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