CID 20061970

2,6-dimethyl-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H10F3N
SMILES
CC1=CC(=CC(=C1N)C)C(F)(F)F
InChI
InChI=1S/C9H10F3N/c1-5-3-7(9(10,11)12)4-6(2)8(5)13/h3-4H,13H2,1-2H3
InChIKey
AKHBCRYOUZZLGV-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

189.07654 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.083816 135.9
[M+Na]+ 212.065758 146.0
[M-H]- 188.069264 136.1
[M+NH4]+ 207.110363 155.9
[M+K]+ 228.039698 142.8
[M+H-H2O]+ 172.073800 128.5
[M+HCOO]- 234.074741 156.0
[M+CH3COO]- 248.090391 186.9
[M+Na-2H]- 210.051206 140.0
[M]+ 189.07599142 131.0
[M]- 189.07708858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe