CID 130682378

1-cyanocyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H10ClNO2S
SMILES
C1CCC(CC1)(C#N)S(=O)(=O)Cl
InChI
InChI=1S/C7H10ClNO2S/c8-12(10,11)7(6-9)4-2-1-3-5-7/h1-5H2
InChIKey
LLPKQZLLNQUVBI-UHFFFAOYSA-N
Compound name
1-cyanocyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.01208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01936 146.8
[M+Na]+ 230.00130 157.3
[M-H]- 206.00480 151.1
[M+NH4]+ 225.04590 167.0
[M+K]+ 245.97524 152.9
[M+H-H2O]+ 190.00934 137.5
[M+HCOO]- 252.01028 155.0
[M+CH3COO]- 266.02593 190.1
[M+Na-2H]- 227.98675 151.2
[M]+ 207.01153 142.4
[M]- 207.01263 142.4
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.