CID 19019465

139425-47-1

Structural Information

Molecular Formula
C8H4FNO2S
SMILES
C1=CC2=C(C=C1F)N=C(S2)C(=O)O
InChI
InChI=1S/C8H4FNO2S/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12/h1-3H,(H,11,12)
InChIKey
SZTWYWTZDUJKII-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-benzothiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

196.99467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00195 134.1
[M+Na]+ 219.98389 146.1
[M-H]- 195.98739 136.2
[M+NH4]+ 215.02849 155.4
[M+K]+ 235.95783 142.4
[M+H-H2O]+ 179.99193 128.2
[M+HCOO]- 241.99287 151.8
[M+CH3COO]- 256.00852 178.3
[M+Na-2H]- 217.96934 137.9
[M]+ 196.99412 137.1
[M]- 196.99522 137.1
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

patents stripe