CID 155819657

2-chloropyrimidine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C4H2ClFN2O2S
SMILES
C1=CN=C(N=C1S(=O)(=O)F)Cl
InChI
InChI=1S/C4H2ClFN2O2S/c5-4-7-2-1-3(8-4)11(6,9)10/h1-2H
InChIKey
ALHIDBGKQJWRAE-UHFFFAOYSA-N
Compound name
2-chloropyrimidine-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.95096 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.95824 129.6
[M+Na]+ 218.94018 141.7
[M-H]- 194.94368 130.4
[M+NH4]+ 213.98478 147.9
[M+K]+ 234.91412 137.8
[M+H-H2O]+ 178.94822 123.5
[M+HCOO]- 240.94916 141.6
[M+CH3COO]- 254.96481 175.9
[M+Na-2H]- 216.92563 135.9
[M]+ 195.95041 132.7
[M]- 195.95151 132.7
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.