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

21
Patents

189.07654 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 136.3
[M+Na]+ 212.06576 145.4
[M-H]- 188.06926 136.1
[M+NH4]+ 207.11036 156.0
[M+K]+ 228.03970 142.2
[M+H-H2O]+ 172.07380 128.6
[M+HCOO]- 234.07474 156.4
[M+CH3COO]- 248.09039 185.7
[M+Na-2H]- 210.05121 141.1
[M]+ 189.07599 131.0
[M]- 189.07709 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