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]+ 179.01821 129.1
[M+Na]+ 201.00015 139.5
[M-H]- 177.00365 128.8
[M+NH4]+ 196.04475 148.6
[M+K]+ 216.97409 135.3
[M+H-H2O]+ 161.00819 122.1
[M+HCOO]- 223.00913 146.1
[M+CH3COO]- 237.02478 181.4
[M+Na-2H]- 198.98560 134.0
[M]+ 178.01038 126.5
[M]- 178.01148 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.