CID 56724773

1351623-35-2

Structural Information

Molecular Formula
C10H9FN2O2S
SMILES
CN(CC(=O)O)C1=NC2=C(C=CC=C2S1)F
InChI
InChI=1S/C10H9FN2O2S/c1-13(5-8(14)15)10-12-9-6(11)3-2-4-7(9)16-10/h2-4H,5H2,1H3,(H,14,15)
InChIKey
YPRJGYAQZGOOAW-UHFFFAOYSA-N
Compound name
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.03688 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04416 147.1
[M+Na]+ 263.02610 157.4
[M-H]- 239.02960 150.2
[M+NH4]+ 258.07070 166.9
[M+K]+ 279.00004 154.4
[M+H-H2O]+ 223.03414 140.2
[M+HCOO]- 285.03508 165.6
[M+CH3COO]- 299.05073 192.6
[M+Na-2H]- 261.01155 149.9
[M]+ 240.03633 151.4
[M]- 240.03743 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.