CID 22500934

503470-40-4

Structural Information

Molecular Formula
C9H7ClO4S
SMILES
C1COC2=C(C1=O)C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-2,5H,3-4H2
InChIKey
UDHJEOIBCQHSND-UHFFFAOYSA-N
Compound name
4-oxo-2,3-dihydrochromene-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

245.97536 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98264 144.0
[M+Na]+ 268.96458 154.3
[M-H]- 244.96808 149.9
[M+NH4]+ 264.00918 162.7
[M+K]+ 284.93852 151.6
[M+H-H2O]+ 228.97262 140.1
[M+HCOO]- 290.97356 155.1
[M+CH3COO]- 304.98921 185.6
[M+Na-2H]- 266.95003 150.9
[M]+ 245.97481 148.8
[M]- 245.97591 148.8
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