CID 11506603

N1-methyl-5-(trifluoromethyl)benzene-1,2-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

190.07178 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe