CID 47003568

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

Structural Information

Molecular Formula
C9H5Cl2FO3S
SMILES
C1C(=CC2=C(O1)C(=CC(=C2)F)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H5Cl2FO3S/c10-8-3-6(12)1-5-2-7(16(11,13)14)4-15-9(5)8/h1-3H,4H2
InChIKey
KBTCXSNMKJPBEY-UHFFFAOYSA-N
Compound name
8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.93204 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.93932 148.1
[M+Na]+ 304.92126 160.4
[M-H]- 280.92476 152.7
[M+NH4]+ 299.96586 166.3
[M+K]+ 320.89520 156.0
[M+H-H2O]+ 264.92930 144.2
[M+HCOO]- 326.93024 154.2
[M+CH3COO]- 340.94589 192.4
[M+Na-2H]- 302.90671 153.8
[M]+ 281.93149 153.9
[M]- 281.93259 153.9
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.