CID 53435890

5-methylpyrimidine-2-sulfonyl fluoride

Structural Information

Molecular Formula
C5H5FN2O2S
SMILES
CC1=CN=C(N=C1)S(=O)(=O)F
InChI
InChI=1S/C5H5FN2O2S/c1-4-2-7-5(8-3-4)11(6,9)10/h2-3H,1H3
InChIKey
KVOUCHCKPXVILS-UHFFFAOYSA-N
Compound name
5-methylpyrimidine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.00557 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.01285 133.6
[M+Na]+ 198.99479 145.3
[M+NH4]+ 194.03939 140.3
[M+K]+ 214.96873 138.9
[M-H]- 174.99829 131.9
[M+Na-2H]- 196.98024 139.0
[M]+ 176.00502 135.1
[M]- 176.00612 135.1
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.