CID 84670056

2375273-49-5

Structural Information

Molecular Formula
C8H8FNO2S
SMILES
CSC1=C(C=C(C(=C1)F)C(=O)O)N
InChI
InChI=1S/C8H8FNO2S/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3H,10H2,1H3,(H,11,12)
InChIKey
DXYIOFOKEYUVKM-UHFFFAOYSA-N
Compound name
5-amino-2-fluoro-4-methylsulfanylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.02597 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.03325 140.2
[M+Na]+ 224.01519 150.3
[M+NH4]+ 219.05979 147.4
[M+K]+ 239.98913 143.9
[M-H]- 200.01869 140.3
[M+Na-2H]- 222.00064 144.0
[M]+ 201.02542 141.8
[M]- 201.02652 141.8
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.