CID 115409389

Lithium(1+) ion 2-{2-[(2,2-difluoroethyl)amino]-1,3-thiazol-4-yl}acetate

Structural Information

Molecular Formula
C7H8F2N2O2S
SMILES
C1=C(N=C(S1)NCC(F)F)CC(=O)O
InChI
InChI=1S/C7H8F2N2O2S/c8-5(9)2-10-7-11-4(3-14-7)1-6(12)13/h3,5H,1-2H2,(H,10,11)(H,12,13)
InChIKey
XRYMONMKJFVUIE-UHFFFAOYSA-N
Compound name
2-[2-(2,2-difluoroethylamino)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03473 141.9
[M+Na]+ 245.01667 149.4
[M-H]- 221.02017 140.5
[M+NH4]+ 240.06127 160.0
[M+K]+ 260.99061 146.7
[M+H-H2O]+ 205.02471 133.8
[M+HCOO]- 267.02565 157.2
[M+CH3COO]- 281.04130 185.5
[M+Na-2H]- 243.00212 141.4
[M]+ 222.02690 140.9
[M]- 222.02800 140.9
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.