CID 75481394

(1-methanesulfonylpiperidin-4-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H14ClNO4S2
SMILES
CS(=O)(=O)N1CCC(CC1)CS(=O)(=O)Cl
InChI
InChI=1S/C7H14ClNO4S2/c1-14(10,11)9-4-2-7(3-5-9)6-15(8,12)13/h7H,2-6H2,1H3
InChIKey
AHEYASLLVRLEDN-UHFFFAOYSA-N
Compound name
(1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.00528 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01256 155.3
[M+Na]+ 297.99450 162.7
[M-H]- 273.99800 157.1
[M+NH4]+ 293.03910 171.3
[M+K]+ 313.96844 158.2
[M+H-H2O]+ 258.00254 150.9
[M+HCOO]- 320.00348 158.1
[M+CH3COO]- 334.01913 188.3
[M+Na-2H]- 295.97995 157.3
[M]+ 275.00473 157.5
[M]- 275.00583 157.5
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

No patent data available for this compound.