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]+ 208.057996 138.0
[M+Na]+ 230.039938 147.4
[M-H]- 206.043444 137.9
[M+NH4]+ 225.084543 156.8
[M+K]+ 246.013878 145.5
[M+H-H2O]+ 190.047980 129.9
[M+HCOO]- 252.048921 158.9
[M+CH3COO]- 266.064571 186.8
[M+Na-2H]- 228.025386 143.4
[M]+ 207.05017142 135.2
[M]- 207.05126858 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.