CID 18318796

2-chloro-4,5-difluoropyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

441
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

literature stripe

Patent stripe

patents stripe