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

8
Patents

199.00699 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01427 132.7
[M+Na]+ 221.99621 138.3
[M-H]- 197.99971 136.1
[M+NH4]+ 217.04081 149.0
[M+K]+ 237.97015 141.8
[M+H-H2O]+ 182.00425 127.0
[M+HCOO]- 244.00519 141.6
[M+CH3COO]- 258.02084 177.7
[M+Na-2H]- 219.98166 137.4
[M]+ 199.00644 130.5
[M]- 199.00754 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