CID 137949951

5-bromopyrimidine-2-sulfonyl fluoride

Structural Information

Molecular Formula
C4H2BrFN2O2S
SMILES
C1=C(C=NC(=N1)S(=O)(=O)F)Br
InChI
InChI=1S/C4H2BrFN2O2S/c5-3-1-7-4(8-2-3)11(6,9)10/h1-2H
InChIKey
GDJLFMUPNSQZNK-UHFFFAOYSA-N
Compound name
5-bromopyrimidine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.90044 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.90772 126.2
[M+Na]+ 262.88966 141.1
[M-H]- 238.89316 129.9
[M+NH4]+ 257.93426 145.9
[M+K]+ 278.86360 129.6
[M+H-H2O]+ 222.89770 125.9
[M+HCOO]- 284.89864 141.1
[M+CH3COO]- 298.91429 182.6
[M+Na-2H]- 260.87511 134.9
[M]+ 239.89989 146.4
[M]- 239.90099 146.4
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.