CID 591662

5-chloro-2,4-difluoropyrimidine

Structural Information

Molecular Formula
C4HClF2N2
SMILES
C1=C(C(=NC(=N1)F)F)Cl
InChI
InChI=1S/C4HClF2N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKey
XZSZSTCLQANXKU-UHFFFAOYSA-N
Compound name
5-chloro-2,4-difluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1050
Patents

149.97963 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.98691 118.5
[M+Na]+ 172.96885 130.8
[M-H]- 148.97235 117.4
[M+NH4]+ 168.01345 138.4
[M+K]+ 188.94279 127.2
[M+H-H2O]+ 132.97689 111.1
[M+HCOO]- 194.97783 135.3
[M+CH3COO]- 208.99348 173.3
[M+Na-2H]- 170.95430 126.6
[M]+ 149.97908 117.9
[M]- 149.98018 117.9
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