CID 15099755

N-methyl-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H8F3N
SMILES
CNC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C8H8F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3
InChIKey
UTUYWZJPVLDHJJ-UHFFFAOYSA-N
Compound name
N-methyl-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

611
Patents

175.06088 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06816 131.2
[M+Na]+ 198.05010 139.8
[M-H]- 174.05360 131.4
[M+NH4]+ 193.09470 151.4
[M+K]+ 214.02404 137.2
[M+H-H2O]+ 158.05814 123.4
[M+HCOO]- 220.05908 152.4
[M+CH3COO]- 234.07473 182.2
[M+Na-2H]- 196.03555 138.4
[M]+ 175.06033 126.3
[M]- 175.06143 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