CID 54594206

1,2,3,4-tetrahydronaphthalene-2-sulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
C1CC2=CC=CC=C2CC1S(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2
InChIKey
OPSMOLXFYUYTPZ-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydronaphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

230.01683 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.024106 144.2
[M+Na]+ 253.006048 153.2
[M-H]- 229.009554 148.8
[M+NH4]+ 248.050653 164.8
[M+K]+ 268.979988 148.6
[M+H-H2O]+ 213.014090 140.1
[M+HCOO]- 275.015031 155.1
[M+CH3COO]- 289.030681 184.0
[M+Na-2H]- 250.991496 149.9
[M]+ 230.01628142 146.2
[M]- 230.01737858 146.2
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

patents stripe