CID 715666

N1-methyl-4-(trifluoromethyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C8H9F3N2
SMILES
CNC1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3
InChIKey
KWYSQBACVABOFL-UHFFFAOYSA-N
Compound name
1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

227
Patents

190.07178 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 135.6
[M+Na]+ 213.06100 144.3
[M-H]- 189.06450 135.5
[M+NH4]+ 208.10560 154.8
[M+K]+ 229.03494 141.2
[M+H-H2O]+ 173.06904 127.6
[M+HCOO]- 235.06998 157.1
[M+CH3COO]- 249.08563 187.6
[M+Na-2H]- 211.04645 141.2
[M]+ 190.07123 129.2
[M]- 190.07233 129.2
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