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

42
Patents

192.97127 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.97855 133.2
[M+Na]+ 215.96049 144.3
[M-H]- 191.96399 134.8
[M+NH4]+ 211.00509 151.0
[M+K]+ 231.93443 140.2
[M+H-H2O]+ 175.96853 127.7
[M+HCOO]- 237.96947 146.5
[M+CH3COO]- 251.98512 177.4
[M+Na-2H]- 213.94594 139.4
[M]+ 192.97072 135.5
[M]- 192.97182 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