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

6
Patents

230.01683 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02411 144.2
[M+Na]+ 253.00605 153.2
[M-H]- 229.00955 148.8
[M+NH4]+ 248.05065 164.8
[M+K]+ 268.97999 148.6
[M+H-H2O]+ 213.01409 140.1
[M+HCOO]- 275.01503 155.1
[M+CH3COO]- 289.03068 184.0
[M+Na-2H]- 250.99150 149.9
[M]+ 230.01628 146.2
[M]- 230.01738 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