CID 62987256

1,4-oxazepane-4-sulfonyl chloride

Structural Information

Molecular Formula
C5H10ClNO3S
SMILES
C1CN(CCOC1)S(=O)(=O)Cl
InChI
InChI=1S/C5H10ClNO3S/c6-11(8,9)7-2-1-4-10-5-3-7/h1-5H2
InChIKey
DXKIPKJKQNQXOU-UHFFFAOYSA-N
Compound name
1,4-oxazepane-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

199.00699 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.014266 132.7
[M+Na]+ 221.996208 138.3
[M-H]- 197.999714 136.1
[M+NH4]+ 217.040813 149.0
[M+K]+ 237.970148 141.8
[M+H-H2O]+ 182.004250 127.0
[M+HCOO]- 244.005191 141.6
[M+CH3COO]- 258.020841 177.7
[M+Na-2H]- 219.981656 137.4
[M]+ 199.00644142 130.5
[M]- 199.00753858 130.5
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