CID 15885618

2-aminopyrimidine-5-sulfonyl chloride

Structural Information

Molecular Formula
C4H4ClN3O2S
SMILES
C1=C(C=NC(=N1)N)S(=O)(=O)Cl
InChI
InChI=1S/C4H4ClN3O2S/c5-11(9,10)3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKey
DMGWBLDZXCMCJN-UHFFFAOYSA-N
Compound name
2-aminopyrimidine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

192.97127 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.978546 133.2
[M+Na]+ 215.960488 144.3
[M-H]- 191.963994 134.8
[M+NH4]+ 211.005093 151.0
[M+K]+ 231.934428 140.2
[M+H-H2O]+ 175.968530 127.7
[M+HCOO]- 237.969471 146.5
[M+CH3COO]- 251.985121 177.4
[M+Na-2H]- 213.945936 139.4
[M]+ 192.97072142 135.5
[M]- 192.97181858 135.5
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

patents stripe