CID 82401502

1368164-70-8

Structural Information

Molecular Formula
C7H5F3OS
SMILES
CC(=O)C1=CC(=CS1)C(F)(F)F
InChI
InChI=1S/C7H5F3OS/c1-4(11)6-2-5(3-12-6)7(8,9)10/h2-3H,1H3
InChIKey
ZJJRRGFMYGIYES-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)thiophen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

194.00133 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00861 133.5
[M+Na]+ 216.99055 143.4
[M-H]- 192.99405 134.1
[M+NH4]+ 212.03515 155.5
[M+K]+ 232.96449 141.0
[M+H-H2O]+ 176.99859 126.5
[M+HCOO]- 238.99953 148.8
[M+CH3COO]- 253.01518 180.3
[M+Na-2H]- 214.97600 134.3
[M]+ 194.00078 132.2
[M]- 194.00188 132.2
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

patents stripe