CID 20062029

2-ethyl-6-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H10F3N
SMILES
CCC1=C(C(=CC=C1)C(F)(F)F)N
InChI
InChI=1S/C9H10F3N/c1-2-6-4-3-5-7(8(6)13)9(10,11)12/h3-5H,2,13H2,1H3
InChIKey
MNDRKXSUXLBFLL-UHFFFAOYSA-N
Compound name
2-ethyl-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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 136.3
[M+Na]+ 212.065758 145.4
[M-H]- 188.069264 136.1
[M+NH4]+ 207.110363 156.0
[M+K]+ 228.039698 142.2
[M+H-H2O]+ 172.073800 128.6
[M+HCOO]- 234.074741 156.4
[M+CH3COO]- 248.090391 185.7
[M+Na-2H]- 210.051206 141.1
[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

No literature data available for this compound.

Patent stripe

patents stripe