CID 124251934

1868833-66-2

Structural Information

Molecular Formula
C8H5F3O2S
SMILES
C1=CSC(=C1/C=C/C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H5F3O2S/c9-8(10,11)7-5(3-4-14-7)1-2-6(12)13/h1-4H,(H,12,13)/b2-1+
InChIKey
ZZQRDYCUDWPWSX-OWOJBTEDSA-N
Compound name
(E)-3-[2-(trifluoromethyl)thiophen-3-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.99623 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00351 151.9
[M+Na]+ 244.98545 158.2
[M+NH4]+ 240.03005 156.8
[M+K]+ 260.95939 153.9
[M-H]- 220.98895 147.0
[M+Na-2H]- 242.97090 152.6
[M]+ 221.99568 151.3
[M]- 221.99678 151.3
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.