CID 137952304

2219419-38-0

Structural Information

Molecular Formula
C9H14ClNO3S
SMILES
C1CCC(CC1)(C#N)OCCS(=O)(=O)Cl
InChI
InChI=1S/C9H14ClNO3S/c10-15(12,13)7-6-14-9(8-11)4-2-1-3-5-9/h1-7H2
InChIKey
LTGKSBHFZRJMAM-UHFFFAOYSA-N
Compound name
2-(1-cyanocyclohexyl)oxyethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0383 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04558 156.3
[M+Na]+ 274.02752 165.8
[M-H]- 250.03102 160.2
[M+NH4]+ 269.07212 174.9
[M+K]+ 290.00146 161.6
[M+H-H2O]+ 234.03556 146.6
[M+HCOO]- 296.03650 164.2
[M+CH3COO]- 310.05215 197.3
[M+Na-2H]- 272.01297 160.3
[M]+ 251.03775 153.9
[M]- 251.03885 153.9
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.