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

39
Patents

221.98659 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99387 141.5
[M+Na]+ 244.97581 152.2
[M-H]- 220.97931 144.5
[M+NH4]+ 240.02041 160.2
[M+K]+ 260.94975 150.3
[M+H-H2O]+ 204.98385 136.7
[M+HCOO]- 266.98479 151.2
[M+CH3COO]- 281.00044 179.5
[M+Na-2H]- 242.96126 147.0
[M]+ 221.98604 145.5
[M]- 221.98714 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