CID 122236029

2-chloro-4-(fluorosulfonyl)benzoic acid

Structural Information

Molecular Formula
C7H4ClFO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)F)Cl)C(=O)O
InChI
InChI=1S/C7H4ClFO4S/c8-6-3-4(14(9,12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
BEXNYFYCTVODCD-UHFFFAOYSA-N
Compound name
2-chloro-4-fluorosulfonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.95029 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.95757 138.6
[M+Na]+ 260.93951 149.4
[M-H]- 236.94301 140.9
[M+NH4]+ 255.98411 157.1
[M+K]+ 276.91345 145.0
[M+H-H2O]+ 220.94755 134.1
[M+HCOO]- 282.94849 150.4
[M+CH3COO]- 296.96414 182.2
[M+Na-2H]- 258.92496 141.9
[M]+ 237.94974 142.2
[M]- 237.95084 142.2
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

patents stripe