CID 76089

3,5-dichloro-2,6-difluoropyridin-4-amine

Structural Information

Molecular Formula
C5H2Cl2F2N2
SMILES
C1(=C(C(=NC(=C1Cl)F)F)Cl)N
InChI
InChI=1S/C5H2Cl2F2N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKey
BEGINUFBBRTGBH-UHFFFAOYSA-N
Compound name
3,5-dichloro-2,6-difluoropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

106
Patents

197.95631 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96359 129.6
[M+Na]+ 220.94553 142.6
[M-H]- 196.94903 129.2
[M+NH4]+ 215.99013 149.2
[M+K]+ 236.91947 137.0
[M+H-H2O]+ 180.95357 123.9
[M+HCOO]- 242.95451 142.7
[M+CH3COO]- 256.97016 184.7
[M+Na-2H]- 218.93098 134.0
[M]+ 197.95576 129.0
[M]- 197.95686 129.0
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