CID 165951145

3-bromo-5-[(fluorosulfonyl)oxy]benzoic acid

Structural Information

Molecular Formula
C7H4BrFO5S
SMILES
C1=C(C=C(C=C1OS(=O)(=O)F)Br)C(=O)O
InChI
InChI=1S/C7H4BrFO5S/c8-5-1-4(7(10)11)2-6(3-5)14-15(9,12)13/h1-3H,(H,10,11)
InChIKey
BBPNJAYQCDUMSK-UHFFFAOYSA-N
Compound name
3-bromo-5-fluorosulfonyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.89468 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.90196 140.9
[M+Na]+ 320.88390 153.8
[M-H]- 296.88740 145.5
[M+NH4]+ 315.92850 159.7
[M+K]+ 336.85784 142.5
[M+H-H2O]+ 280.89194 140.6
[M+HCOO]- 342.89288 155.2
[M+CH3COO]- 356.90853 190.6
[M+Na-2H]- 318.86935 146.4
[M]+ 297.89413 162.3
[M]- 297.89523 162.3
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.