CID 24701680

4-[4-(chlorosulfonyl)-2-fluorophenoxy]butanoic acid

Structural Information

Molecular Formula
C10H10ClFO5S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)F)OCCCC(=O)O
InChI
InChI=1S/C10H10ClFO5S/c11-18(15,16)7-3-4-9(8(12)6-7)17-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChIKey
GAJJWMGAJLYABH-UHFFFAOYSA-N
Compound name
4-(4-chlorosulfonyl-2-fluorophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.99216 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99944 155.0
[M+Na]+ 318.98138 164.3
[M-H]- 294.98488 156.7
[M+NH4]+ 314.02598 171.1
[M+K]+ 334.95532 159.8
[M+H-H2O]+ 278.98942 149.7
[M+HCOO]- 340.99036 166.1
[M+CH3COO]- 355.00601 193.3
[M+Na-2H]- 316.96683 157.1
[M]+ 295.99161 161.2
[M]- 295.99271 161.2
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.