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

43
Patents

190.07178 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.079056 135.6
[M+Na]+ 213.060998 144.3
[M-H]- 189.064504 135.5
[M+NH4]+ 208.105603 154.8
[M+K]+ 229.034938 141.2
[M+H-H2O]+ 173.069040 127.6
[M+HCOO]- 235.069981 157.1
[M+CH3COO]- 249.085631 187.6
[M+Na-2H]- 211.046446 141.2
[M]+ 190.07123142 129.2
[M]- 190.07232858 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