CID 63564006

1-(oxolan-3-yl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H9ClN2O3S
SMILES
C1COCC1N2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C7H9ClN2O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2
InChIKey
OVUMLXDIGACVNZ-UHFFFAOYSA-N
Compound name
1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.00224 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00952 148.7
[M+Na]+ 258.99146 159.0
[M-H]- 234.99496 154.5
[M+NH4]+ 254.03606 167.5
[M+K]+ 274.96540 157.4
[M+H-H2O]+ 218.99950 143.5
[M+HCOO]- 281.00044 160.5
[M+CH3COO]- 295.01609 181.0
[M+Na-2H]- 256.97691 150.2
[M]+ 236.00169 152.5
[M]- 236.00279 152.5
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