CID 154577232

4-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)thiophene

Structural Information

Molecular Formula
C7H4ClF5S
SMILES
C1=C(SC=C1CCl)C(C(F)(F)F)(F)F
InChI
InChI=1S/C7H4ClF5S/c8-2-4-1-5(14-3-4)6(9,10)7(11,12)13/h1,3H,2H2
InChIKey
YRKDUIYPDIAMSH-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.96423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97151 140.8
[M+Na]+ 272.95345 151.8
[M-H]- 248.95695 138.8
[M+NH4]+ 267.99805 161.3
[M+K]+ 288.92739 146.7
[M+H-H2O]+ 232.96149 132.9
[M+HCOO]- 294.96243 148.6
[M+CH3COO]- 308.97808 188.5
[M+Na-2H]- 270.93890 141.9
[M]+ 249.96368 138.2
[M]- 249.96478 138.2
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

No patent data available for this compound.