CID 138991535

2309463-91-8

Structural Information

Molecular Formula
C8H6BrClO3S
SMILES
C1C2=CC(=C(C=C2CO1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C8H6BrClO3S/c9-7-1-5-3-13-4-6(5)2-8(7)14(10,11)12/h1-2H,3-4H2
InChIKey
QZFLRUMEHXRFMN-UHFFFAOYSA-N
Compound name
6-bromo-1,3-dihydro-2-benzofuran-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.89096 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.89824 146.9
[M+Na]+ 318.88018 162.4
[M-H]- 294.88368 156.0
[M+NH4]+ 313.92478 169.7
[M+K]+ 334.85412 151.0
[M+H-H2O]+ 278.88822 150.1
[M+HCOO]- 340.88916 158.4
[M+CH3COO]- 354.90481 190.8
[M+Na-2H]- 316.86563 154.0
[M]+ 295.89041 171.1
[M]- 295.89151 171.1
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.