CID 84687958

5h,6h,7h-pyrazolo[3,2-b][1,3]oxazine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClN2O3S
SMILES
C1CN2C(=C(C=N2)S(=O)(=O)Cl)OC1
InChI
InChI=1S/C6H7ClN2O3S/c7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2
InChIKey
CJIQNDKNUMZXBZ-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

221.98659 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.993866 141.5
[M+Na]+ 244.975808 152.2
[M-H]- 220.979314 144.5
[M+NH4]+ 240.020413 160.2
[M+K]+ 260.949748 150.3
[M+H-H2O]+ 204.983850 136.7
[M+HCOO]- 266.984791 151.2
[M+CH3COO]- 281.000441 179.5
[M+Na-2H]- 242.961256 147.0
[M]+ 221.98604142 145.5
[M]- 221.98713858 145.5
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