CID 24267858

946409-11-6

Structural Information

Molecular Formula
C9H9ClO3S
SMILES
C1CC2=C(C=CC(=C2)S(=O)(=O)Cl)OC1
InChI
InChI=1S/C9H9ClO3S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2
InChIKey
YWWYZRQBPOAOMS-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromene-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

231.9961 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.003376 142.2
[M+Na]+ 254.985318 151.6
[M-H]- 230.988824 147.7
[M+NH4]+ 250.029923 161.4
[M+K]+ 270.959258 148.8
[M+H-H2O]+ 214.993360 138.2
[M+HCOO]- 276.994301 152.9
[M+CH3COO]- 291.009951 183.1
[M+Na-2H]- 252.970766 149.5
[M]+ 231.99555142 145.8
[M]- 231.99664858 145.8
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

patents stripe