CID 607248

3-chloro-5-(trifluoromethyl)-2-pyridinamine

Structural Information

Molecular Formula
C6H4ClF3N2
SMILES
C1=C(C=NC(=C1Cl)N)C(F)(F)F
InChI
InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
InChIKey
WXNPZQIRDCDLJD-UHFFFAOYSA-N
Compound name
3-chloro-5-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

534
Patents

196.00151 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00879 132.3
[M+Na]+ 218.99073 143.4
[M-H]- 194.99423 130.9
[M+NH4]+ 214.03533 151.2
[M+K]+ 234.96467 138.8
[M+H-H2O]+ 178.99877 124.8
[M+HCOO]- 240.99971 147.6
[M+CH3COO]- 255.01536 183.1
[M+Na-2H]- 216.97618 138.4
[M]+ 196.00096 128.5
[M]- 196.00206 128.5
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