CID 290796

4,5-dimethoxy-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H10F3NO2
SMILES
COC1=C(C=C(C(=C1)C(F)(F)F)N)OC
InChI
InChI=1S/C9H10F3NO2/c1-14-7-3-5(9(10,11)12)6(13)4-8(7)15-2/h3-4H,13H2,1-2H3
InChIKey
RVFJSOZGQWYDAF-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.06636 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07364 148.7
[M+Na]+ 244.05558 157.4
[M+NH4]+ 239.10018 153.9
[M+K]+ 260.02952 153.0
[M-H]- 220.05908 145.8
[M+Na-2H]- 242.04103 152.0
[M]+ 221.06581 148.8
[M]- 221.06691 148.8
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

patents stripe