CID 13318233

2-amino-3-methylbenzotrifluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

323
Patents

175.06088 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.068156 131.5
[M+Na]+ 198.050098 141.1
[M-H]- 174.053604 131.5
[M+NH4]+ 193.094703 151.8
[M+K]+ 214.024038 138.1
[M+H-H2O]+ 158.058140 124.0
[M+HCOO]- 220.059081 152.0
[M+CH3COO]- 234.074731 182.7
[M+Na-2H]- 196.035546 136.9
[M]+ 175.06033142 125.9
[M]- 175.06142858 125.9
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