CID 4961709

3,4-dihydronaphthalene-2-sulfonyl chloride

Structural Information

Molecular Formula
C10H9ClO2S
SMILES
C1CC(=CC2=CC=CC=C21)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,7H,5-6H2
InChIKey
XFOWQBUKLCPMED-UHFFFAOYSA-N
Compound name
3,4-dihydronaphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.00117 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00845 142.9
[M+Na]+ 250.99039 153.0
[M-H]- 226.99389 148.0
[M+NH4]+ 246.03499 163.7
[M+K]+ 266.96433 148.1
[M+H-H2O]+ 210.99843 138.8
[M+HCOO]- 272.99937 155.3
[M+CH3COO]- 287.01502 183.7
[M+Na-2H]- 248.97584 149.6
[M]+ 228.00062 146.3
[M]- 228.00172 146.3
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