CID 113422959

2-amino-2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]acetic acid

Structural Information

Molecular Formula
C11H8F2N2O2S
SMILES
C1=CC(=C(C(=C1)F)C2=NC(=CS2)C(C(=O)O)N)F
InChI
InChI=1S/C11H8F2N2O2S/c12-5-2-1-3-6(13)8(5)10-15-7(4-18-10)9(14)11(16)17/h1-4,9H,14H2,(H,16,17)
InChIKey
MPASLJSNTCHITE-UHFFFAOYSA-N
Compound name
2-amino-2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.02747 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03475 153.8
[M+Na]+ 293.01669 162.9
[M-H]- 269.02019 155.9
[M+NH4]+ 288.06129 170.0
[M+K]+ 308.99063 158.2
[M+H-H2O]+ 253.02473 145.4
[M+HCOO]- 315.02567 168.9
[M+CH3COO]- 329.04132 194.9
[M+Na-2H]- 291.00214 151.7
[M]+ 270.02692 152.0
[M]- 270.02802 152.0
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.