CID 47003565

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

Structural Information

Molecular Formula
C9H6BrClO3S
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Br)S(=O)(=O)Cl
InChI
InChI=1S/C9H6BrClO3S/c10-7-1-2-9-6(3-7)4-8(5-14-9)15(11,12)13/h1-4H,5H2
InChIKey
CPNDFGDTQITCDB-UHFFFAOYSA-N
Compound name
6-bromo-2H-chromene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.89096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.89824 144.5
[M+Na]+ 330.88018 159.1
[M-H]- 306.88368 153.2
[M+NH4]+ 325.92478 164.9
[M+K]+ 346.85412 147.5
[M+H-H2O]+ 290.88822 146.8
[M+HCOO]- 352.88916 154.9
[M+CH3COO]- 366.90481 193.7
[M+Na-2H]- 328.86563 153.7
[M]+ 307.89041 168.3
[M]- 307.89151 168.3
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.