CID 165948521

[4-(propan-2-yl)oxan-4-yl]methanesulfonyl chloride

Structural Information

Molecular Formula
C9H17ClO3S
SMILES
CC(C)C1(CCOCC1)CS(=O)(=O)Cl
InChI
InChI=1S/C9H17ClO3S/c1-8(2)9(7-14(10,11)12)3-5-13-6-4-9/h8H,3-7H2,1-2H3
InChIKey
ZURCVXASGZFUMI-UHFFFAOYSA-N
Compound name
(4-propan-2-yloxan-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0587 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06598 147.6
[M+Na]+ 263.04792 153.9
[M-H]- 239.05142 151.5
[M+NH4]+ 258.09252 167.0
[M+K]+ 279.02186 152.5
[M+H-H2O]+ 223.05596 144.3
[M+HCOO]- 285.05690 155.8
[M+CH3COO]- 299.07255 185.2
[M+Na-2H]- 261.03337 151.7
[M]+ 240.05815 150.0
[M]- 240.05925 150.0
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

No patent data available for this compound.