CID 45594303

1048970-15-5

Structural Information

Molecular Formula
C9H9ClO3S
SMILES
C1CC2=C(C(=CC=C2)S(=O)(=O)Cl)OC1
InChI
InChI=1S/C9H9ClO3S/c10-14(11,12)8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5H,2,4,6H2
InChIKey
ICMATZNLBWDEAR-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromene-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

231.9961 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00338 142.2
[M+Na]+ 254.98532 151.6
[M-H]- 230.98882 147.7
[M+NH4]+ 250.02992 161.4
[M+K]+ 270.95926 148.8
[M+H-H2O]+ 214.99336 138.2
[M+HCOO]- 276.99430 152.9
[M+CH3COO]- 291.00995 183.1
[M+Na-2H]- 252.97077 149.5
[M]+ 231.99555 145.8
[M]- 231.99665 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