CID 285310

3,5-bis(fluorosulfonyl)benzoic acid

Structural Information

Molecular Formula
C7H4F2O6S2
SMILES
C1=C(C=C(C=C1S(=O)(=O)F)S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C7H4F2O6S2/c8-16(12,13)5-1-4(7(10)11)2-6(3-5)17(9,14)15/h1-3H,(H,10,11)
InChIKey
JVUMJYYUWBWCAE-UHFFFAOYSA-N
Compound name
3,5-bis(fluorosulfonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

285.94174 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94902 150.7
[M+Na]+ 308.93096 160.0
[M-H]- 284.93446 150.5
[M+NH4]+ 303.97556 165.5
[M+K]+ 324.90490 155.6
[M+H-H2O]+ 268.93900 143.7
[M+HCOO]- 330.93994 159.1
[M+CH3COO]- 344.95559 189.2
[M+Na-2H]- 306.91641 153.4
[M]+ 285.94119 152.5
[M]- 285.94229 152.5
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

patents stripe