CID 2760894

2-trifluoromethyl-n-methylaniline

Structural Information

Molecular Formula
C8H8F3N
SMILES
CNC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C8H8F3N/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5,12H,1H3
InChIKey
RNRDHZGWBBEZBK-UHFFFAOYSA-N
Compound name
N-methyl-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

175.06088 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.068156 131.2
[M+Na]+ 198.050098 139.8
[M-H]- 174.053604 131.4
[M+NH4]+ 193.094703 151.4
[M+K]+ 214.024038 137.2
[M+H-H2O]+ 158.058140 123.4
[M+HCOO]- 220.059081 152.4
[M+CH3COO]- 234.074731 182.2
[M+Na-2H]- 196.035546 138.4
[M]+ 175.06033142 126.3
[M]- 175.06142858 126.3
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