CID 47003560

6-chloro-2h-chromene-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H6Cl2O3S
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H6Cl2O3S/c10-7-1-2-9-6(3-7)4-8(5-14-9)15(11,12)13/h1-4H,5H2
InChIKey
HAOUOEPGUNIORC-UHFFFAOYSA-N
Compound name
6-chloro-2H-chromene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.94147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.94875 146.6
[M+Na]+ 286.93069 158.1
[M-H]- 262.93419 152.4
[M+NH4]+ 281.97529 165.3
[M+K]+ 302.90463 154.1
[M+H-H2O]+ 246.93873 143.6
[M+HCOO]- 308.93967 153.7
[M+CH3COO]- 322.95532 188.6
[M+Na-2H]- 284.91614 153.4
[M]+ 263.94092 153.0
[M]- 263.94202 153.0
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.