CID 12045191

2-chloro-4-fluoropyrimidine

Structural Information

Molecular Formula
C4H2ClFN2
SMILES
C1=CN=C(N=C1F)Cl
InChI
InChI=1S/C4H2ClFN2/c5-4-7-2-1-3(6)8-4/h1-2H
InChIKey
HXBAGLRPNSWXRY-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

131.98906 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.99634 116.7
[M+Na]+ 154.97828 127.9
[M-H]- 130.98178 116.6
[M+NH4]+ 150.02288 137.0
[M+K]+ 170.95222 124.8
[M+H-H2O]+ 114.98632 109.9
[M+HCOO]- 176.98726 134.5
[M+CH3COO]- 191.00291 169.4
[M+Na-2H]- 152.96373 126.1
[M]+ 131.98851 116.8
[M]- 131.98961 116.8
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