CID 4961838

851879-33-9

Structural Information

Molecular Formula
C11H9FN2O2S
SMILES
C1=CC(=CC(=C1)F)N2C=CN=C2SCC(=O)O
InChI
InChI=1S/C11H9FN2O2S/c12-8-2-1-3-9(6-8)14-5-4-13-11(14)17-7-10(15)16/h1-6H,7H2,(H,15,16)
InChIKey
YGMHOOWRUWSDAP-UHFFFAOYSA-N
Compound name
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04416 154.1
[M+Na]+ 275.02610 165.4
[M+NH4]+ 270.07070 160.8
[M+K]+ 291.00004 159.7
[M-H]- 251.02960 154.4
[M+Na-2H]- 273.01155 159.5
[M]+ 252.03633 156.0
[M]- 252.03743 156.0
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.