CID 20148824

3-methyl-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H8F3N
SMILES
CC1=C(C(=CC=C1)N)C(F)(F)F
InChI
InChI=1S/C8H8F3N/c1-5-3-2-4-6(12)7(5)8(9,10)11/h2-4H,12H2,1H3
InChIKey
MBTVXHHLADNUCN-UHFFFAOYSA-N
Compound name
3-methyl-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

175.06088 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06816 138.1
[M+Na]+ 198.05010 147.5
[M+NH4]+ 193.09470 144.5
[M+K]+ 214.02404 142.2
[M-H]- 174.05360 136.2
[M+Na-2H]- 196.03555 142.9
[M]+ 175.06033 138.7
[M]- 175.06143 138.7
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

patents stripe