CID 131184002

2-fluoro-5-(methanesulfinylamino)benzoic acid

Structural Information

Molecular Formula
C8H8FNO3S
SMILES
CS(=O)NC1=CC(=C(C=C1)F)C(=O)O
InChI
InChI=1S/C8H8FNO3S/c1-14(13)10-5-2-3-7(9)6(4-5)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKey
IGRPJVZLUIJYTC-UHFFFAOYSA-N
Compound name
2-fluoro-5-(methanesulfinamido)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.02089 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02817 143.0
[M+Na]+ 240.01011 152.2
[M+NH4]+ 235.05471 149.3
[M+K]+ 255.98405 146.6
[M-H]- 216.01361 142.3
[M+Na-2H]- 237.99556 146.7
[M]+ 217.02034 144.1
[M]- 217.02144 144.1
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.