CID 57363099

2-methoxy-4,6-bis(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H7F6NO
SMILES
COC1=CC(=CC(=C1N)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H7F6NO/c1-17-6-3-4(8(10,11)12)2-5(7(6)16)9(13,14)15/h2-3H,16H2,1H3
InChIKey
ZLTYWLXYXRBBJP-UHFFFAOYSA-N
Compound name
2-methoxy-4,6-bis(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.04318 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05046 167.1
[M+Na]+ 282.03240 171.8
[M+NH4]+ 277.07700 169.1
[M+K]+ 298.00634 168.1
[M-H]- 258.03590 160.7
[M+Na-2H]- 280.01785 167.3
[M]+ 259.04263 165.5
[M]- 259.04373 165.5
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