CID 63872670

5-bromopyrimidine-2-sulfonamide

Structural Information

Molecular Formula
C4H4BrN3O2S
SMILES
C1=C(C=NC(=N1)S(=O)(=O)N)Br
InChI
InChI=1S/C4H4BrN3O2S/c5-3-1-7-4(8-2-3)11(6,9)10/h1-2H,(H2,6,9,10)
InChIKey
MUYDITHJEYRYFR-UHFFFAOYSA-N
Compound name
5-bromopyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.92076 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.92804 127.3
[M+Na]+ 259.90998 141.2
[M-H]- 235.91348 131.6
[M+NH4]+ 254.95458 146.4
[M+K]+ 275.88392 129.2
[M+H-H2O]+ 219.91802 127.0
[M+HCOO]- 281.91896 143.3
[M+CH3COO]- 295.93461 184.0
[M+Na-2H]- 257.89543 136.1
[M]+ 236.92021 146.7
[M]- 236.92131 146.7
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.