CID 61545574

1-acetylpiperidine-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H12ClNO3S
SMILES
CC(=O)N1CCC(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C7H12ClNO3S/c1-6(10)9-4-2-7(3-5-9)13(8,11)12/h7H,2-5H2,1H3
InChIKey
HACWCCZWXGOJJD-UHFFFAOYSA-N
Compound name
1-acetylpiperidine-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

225.02264 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02992 143.5
[M+Na]+ 248.01186 151.0
[M-H]- 224.01536 145.7
[M+NH4]+ 243.05646 161.6
[M+K]+ 263.98580 148.1
[M+H-H2O]+ 208.01990 138.9
[M+HCOO]- 270.02084 151.9
[M+CH3COO]- 284.03649 181.9
[M+Na-2H]- 245.99731 145.3
[M]+ 225.02209 144.3
[M]- 225.02319 144.3
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