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 141.2
[M+Na]+ 244.98545 150.4
[M-H]- 220.98895 140.2
[M+NH4]+ 240.03005 161.2
[M+K]+ 260.95939 146.7
[M+H-H2O]+ 204.99349 134.2
[M+HCOO]- 266.99443 155.2
[M+CH3COO]- 281.01008 181.0
[M+Na-2H]- 242.97090 141.2
[M]+ 221.99568 139.0
[M]- 221.99678 139.0
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.