CID 119008598

2-methoxy-6-(trifluoromethoxy)aniline hydrochloride

Structural Information

Molecular Formula
C8H8F3NO2
SMILES
COC1=C(C(=CC=C1)OC(F)(F)F)N
InChI
InChI=1S/C8H8F3NO2/c1-13-5-3-2-4-6(7(5)12)14-8(9,10)11/h2-4H,12H2,1H3
InChIKey
KGZGRXLFOGQTLL-UHFFFAOYSA-N
Compound name
2-methoxy-6-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05072 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05800 138.0
[M+Na]+ 230.03994 147.4
[M-H]- 206.04344 137.9
[M+NH4]+ 225.08454 156.8
[M+K]+ 246.01388 145.5
[M+H-H2O]+ 190.04798 129.9
[M+HCOO]- 252.04892 158.9
[M+CH3COO]- 266.06457 186.8
[M+Na-2H]- 228.02539 143.4
[M]+ 207.05017 135.2
[M]- 207.05127 135.2
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

No patent data available for this compound.