CID 171934886

2-chloro-5-fluoropyrimidine-4-carbaldehyde

Structural Information

Molecular Formula
C5H2ClFN2O
SMILES
C1=C(C(=NC(=N1)Cl)C=O)F
InChI
InChI=1S/C5H2ClFN2O/c6-5-8-1-3(7)4(2-10)9-5/h1-2H
InChIKey
LWXSRXUBQCPHSA-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoropyrimidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.98396 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99124 123.0
[M+Na]+ 182.97318 135.0
[M-H]- 158.97668 123.2
[M+NH4]+ 178.01778 142.4
[M+K]+ 198.94712 131.5
[M+H-H2O]+ 142.98122 116.2
[M+HCOO]- 204.98216 140.9
[M+CH3COO]- 218.99781 174.6
[M+Na-2H]- 180.95863 131.1
[M]+ 159.98341 124.6
[M]- 159.98451 124.6
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

No patent data available for this compound.