CID 75480671

(1-cyanocyclohexyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H12ClNO2S
SMILES
C1CCC(CC1)(CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C8H12ClNO2S/c9-13(11,12)7-8(6-10)4-2-1-3-5-8/h1-5,7H2
InChIKey
XHNFLTZGFSUUAJ-UHFFFAOYSA-N
Compound name
(1-cyanocyclohexyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.02773 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03501 150.5
[M+Na]+ 244.01695 160.6
[M-H]- 220.02045 154.6
[M+NH4]+ 239.06155 170.3
[M+K]+ 259.99089 156.0
[M+H-H2O]+ 204.02499 141.1
[M+HCOO]- 266.02593 158.5
[M+CH3COO]- 280.04158 192.8
[M+Na-2H]- 242.00240 154.6
[M]+ 221.02718 146.5
[M]- 221.02828 146.5
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.