CID 91873813

5-ethyl-2-(trifluoromethyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.4
[M+Na]+ 212.06576 151.6
[M+NH4]+ 207.11036 148.6
[M+K]+ 228.03970 146.1
[M-H]- 188.06926 140.4
[M+Na-2H]- 210.05121 146.8
[M]+ 189.07599 142.9
[M]- 189.07709 142.9
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

No patent data available for this compound.