CID 127007667

(1-methylcycloheptyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C9H17ClO2S
SMILES
CC1(CCCCCC1)CS(=O)(=O)Cl
InChI
InChI=1S/C9H17ClO2S/c1-9(8-13(10,11)12)6-4-2-3-5-7-9/h2-8H2,1H3
InChIKey
IJGYIBDYGSELBP-UHFFFAOYSA-N
Compound name
(1-methylcycloheptyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07106 143.5
[M+Na]+ 247.05300 148.1
[M-H]- 223.05650 147.2
[M+NH4]+ 242.09760 163.2
[M+K]+ 263.02694 149.1
[M+H-H2O]+ 207.06104 139.6
[M+HCOO]- 269.06198 152.8
[M+CH3COO]- 283.07763 184.2
[M+Na-2H]- 245.03845 146.7
[M]+ 224.06323 140.8
[M]- 224.06433 140.8
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.