CID 11252470

N-ethyl-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H10F3N
SMILES
CCNC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C9H10F3N/c1-2-13-8-5-3-7(4-6-8)9(10,11)12/h3-6,13H,2H2,1H3
InChIKey
ZFVSSAGTWMDGJX-UHFFFAOYSA-N
Compound name
N-ethyl-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

189.07654 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 142.0
[M+Na]+ 212.06576 151.2
[M+NH4]+ 207.11036 148.4
[M+K]+ 228.03970 145.3
[M-H]- 188.06926 140.2
[M+Na-2H]- 210.05121 147.1
[M]+ 189.07599 142.6
[M]- 189.07709 142.6
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