CID 58902344

3-(aminomethyl)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H9F3N2
SMILES
C1=C(C=C(C=C1C(F)(F)F)N)CN
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3H,4,12-13H2
InChIKey
LZQNQVAKBKTESA-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

190.07178 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 136.0
[M+Na]+ 213.06100 144.7
[M-H]- 189.06450 135.4
[M+NH4]+ 208.10560 155.0
[M+K]+ 229.03494 141.3
[M+H-H2O]+ 173.06904 128.0
[M+HCOO]- 235.06998 156.9
[M+CH3COO]- 249.08563 187.0
[M+Na-2H]- 211.04645 140.5
[M]+ 190.07123 128.6
[M]- 190.07233 128.6
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