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

109
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 136.0
[M+Na]+ 212.06576 144.2
[M-H]- 188.06926 135.9
[M+NH4]+ 207.11036 155.6
[M+K]+ 228.03970 141.3
[M+H-H2O]+ 172.07380 128.0
[M+HCOO]- 234.07474 156.8
[M+CH3COO]- 248.09039 185.3
[M+Na-2H]- 210.05121 142.6
[M]+ 189.07599 131.4
[M]- 189.07709 131.4
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