CID 2735930

N2-methyl-5-(trifluoromethyl)pyridine-2,3-diamine

Structural Information

Molecular Formula
C7H8F3N3
SMILES
CNC1=C(C=C(C=N1)C(F)(F)F)N
InChI
InChI=1S/C7H8F3N3/c1-12-6-5(11)2-4(3-13-6)7(8,9)10/h2-3H,11H2,1H3,(H,12,13)
InChIKey
RLRUNZFXEAZVIT-UHFFFAOYSA-N
Compound name
2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

513
Patents

191.06703 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07431 135.9
[M+Na]+ 214.05625 145.0
[M-H]- 190.05975 134.5
[M+NH4]+ 209.10085 153.7
[M+K]+ 230.03019 142.0
[M+H-H2O]+ 174.06429 127.1
[M+HCOO]- 236.06523 156.4
[M+CH3COO]- 250.08088 187.2
[M+Na-2H]- 212.04170 142.1
[M]+ 191.06648 129.7
[M]- 191.06758 129.7
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