CID 119011035

5-chloro-4-(difluoromethyl)pyridin-2-amine

Structural Information

Molecular Formula
C6H5ClF2N2
SMILES
C1=C(C(=CN=C1N)Cl)C(F)F
InChI
InChI=1S/C6H5ClF2N2/c7-4-2-11-5(10)1-3(4)6(8)9/h1-2,6H,(H2,10,11)
InChIKey
FYNMRRANJAXXFJ-UHFFFAOYSA-N
Compound name
5-chloro-4-(difluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.01093 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.018206 129.1
[M+Na]+ 201.000148 139.5
[M-H]- 177.003654 128.8
[M+NH4]+ 196.044753 148.6
[M+K]+ 216.974088 135.3
[M+H-H2O]+ 161.008190 122.1
[M+HCOO]- 223.009131 146.1
[M+CH3COO]- 237.024781 181.4
[M+Na-2H]- 198.985596 134.0
[M]+ 178.01038142 126.5
[M]- 178.01147858 126.5
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

No patent data available for this compound.