CID 79954406

2060060-40-2

Structural Information

Molecular Formula
C8H8F3NO2S
SMILES
C1=C(N=C(S1)CCC(F)(F)F)CC(=O)O
InChI
InChI=1S/C8H8F3NO2S/c9-8(10,11)2-1-6-12-5(4-15-6)3-7(13)14/h4H,1-3H2,(H,13,14)
InChIKey
BSRMGMMIHCCIHJ-UHFFFAOYSA-N
Compound name
2-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.02278 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03006 154.3
[M+Na]+ 262.01200 160.3
[M+NH4]+ 257.05660 158.6
[M+K]+ 277.98594 156.5
[M-H]- 238.01550 148.9
[M+Na-2H]- 259.99745 154.8
[M]+ 239.02223 153.5
[M]- 239.02333 153.5
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.