CID 22155671

4-amino-5-chloro-2,6-difluoropyrimidine

Structural Information

Molecular Formula
C4H2ClF2N3
SMILES
C1(=C(N=C(N=C1F)F)N)Cl
InChI
InChI=1S/C4H2ClF2N3/c5-1-2(6)9-4(7)10-3(1)8/h(H2,8,9,10)
InChIKey
CVBPHXXXRLQRNE-UHFFFAOYSA-N
Compound name
5-chloro-2,6-difluoropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

164.99052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.99780 124.4
[M+Na]+ 187.97974 136.7
[M-H]- 163.98324 123.1
[M+NH4]+ 183.02434 143.3
[M+K]+ 203.95368 132.5
[M+H-H2O]+ 147.98778 116.9
[M+HCOO]- 209.98872 141.6
[M+CH3COO]- 224.00437 178.4
[M+Na-2H]- 185.96519 130.8
[M]+ 164.98997 122.4
[M]- 164.99107 122.4
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