CID 131598270

2091008-99-8

Structural Information

Molecular Formula
C8H11ClN2O3S
SMILES
CC1(CN2C(=C(C=N2)S(=O)(=O)Cl)OC1)C
InChI
InChI=1S/C8H11ClN2O3S/c1-8(2)4-11-7(14-5-8)6(3-10-11)15(9,12)13/h3H,4-5H2,1-2H3
InChIKey
NKLOAMORDUPYRD-UHFFFAOYSA-N
Compound name
6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

250.0179 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02518 148.4
[M+Na]+ 273.00712 159.9
[M-H]- 249.01062 151.7
[M+NH4]+ 268.05172 168.3
[M+K]+ 288.98106 157.8
[M+H-H2O]+ 233.01516 144.3
[M+HCOO]- 295.01610 157.4
[M+CH3COO]- 309.03175 186.2
[M+Na-2H]- 270.99257 154.0
[M]+ 250.01735 153.9
[M]- 250.01845 153.9
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