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 145.7
[M+Na]+ 262.01200 154.5
[M-H]- 238.01550 143.1
[M+NH4]+ 257.05660 163.7
[M+K]+ 277.98594 151.3
[M+H-H2O]+ 222.02004 137.6
[M+HCOO]- 284.02098 158.2
[M+CH3COO]- 298.03663 185.2
[M+Na-2H]- 259.99745 145.6
[M]+ 239.02223 144.8
[M]- 239.02333 144.8
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.