CID 63632589

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

Structural Information

Molecular Formula
C10H10BrClO2S
SMILES
C1CC2=C(CC1S(=O)(=O)Cl)C=CC(=C2)Br
InChI
InChI=1S/C10H10BrClO2S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1,3,5,10H,2,4,6H2
InChIKey
WDEQWRMNRRDSML-UHFFFAOYSA-N
Compound name
6-bromo-1,2,3,4-tetrahydronaphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.92734 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.93462 147.8
[M+Na]+ 330.91656 161.1
[M-H]- 306.92006 155.3
[M+NH4]+ 325.96116 169.4
[M+K]+ 346.89050 147.9
[M+H-H2O]+ 290.92460 150.2
[M+HCOO]- 352.92554 157.1
[M+CH3COO]- 366.94119 194.8
[M+Na-2H]- 328.90201 154.8
[M]+ 307.92679 168.8
[M]- 307.92789 168.8
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.