CID 63773295

1343693-98-0

Structural Information

Molecular Formula
C11H13ClO2S
SMILES
C1CC(C2=CC=CC=C2C1)CS(=O)(=O)Cl
InChI
InChI=1S/C11H13ClO2S/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8H2
InChIKey
PKBCSRHULHVDQN-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydronaphthalen-1-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03249 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.039766 148.8
[M+Na]+ 267.021708 157.3
[M-H]- 243.025214 153.2
[M+NH4]+ 262.066313 168.8
[M+K]+ 282.995648 152.4
[M+H-H2O]+ 227.029750 144.4
[M+HCOO]- 289.030691 159.4
[M+CH3COO]- 303.046341 187.0
[M+Na-2H]- 265.007156 154.0
[M]+ 244.03194142 151.1
[M]- 244.03303858 151.1
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.