CID 167727752

2913280-49-4

Structural Information

Molecular Formula
C10H9FO5S
SMILES
C1CC2=C(C=CC(=C2)S(=O)(=O)F)OC1C(=O)O
InChI
InChI=1S/C10H9FO5S/c11-17(14,15)7-2-4-8-6(5-7)1-3-9(16-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)
InChIKey
OLQOEQBRRZTUNZ-UHFFFAOYSA-N
Compound name
6-fluorosulfonyl-3,4-dihydro-2H-chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.01547 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02275 148.2
[M+Na]+ 283.00469 156.4
[M-H]- 259.00819 150.8
[M+NH4]+ 278.04929 164.3
[M+K]+ 298.97863 154.7
[M+H-H2O]+ 243.01273 142.2
[M+HCOO]- 305.01367 160.0
[M+CH3COO]- 319.02932 188.2
[M+Na-2H]- 280.99014 153.2
[M]+ 260.01492 149.2
[M]- 260.01602 149.2
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.