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]+ 245.03977 148.8
[M+Na]+ 267.02171 157.3
[M-H]- 243.02521 153.2
[M+NH4]+ 262.06631 168.8
[M+K]+ 282.99565 152.4
[M+H-H2O]+ 227.02975 144.4
[M+HCOO]- 289.03069 159.4
[M+CH3COO]- 303.04634 187.0
[M+Na-2H]- 265.00716 154.0
[M]+ 244.03194 151.1
[M]- 244.03304 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.