CID 117839821

[5-(1,1,2,2,2-pentafluoroethyl)thiophen-2-yl]methanol

Structural Information

Molecular Formula
C7H5F5OS
SMILES
C1=C(SC(=C1)C(C(F)(F)F)(F)F)CO
InChI
InChI=1S/C7H5F5OS/c8-6(9,7(10,11)12)5-2-1-4(3-13)14-5/h1-2,13H,3H2
InChIKey
ABXDRMSMCXCEMV-UHFFFAOYSA-N
Compound name
[5-(1,1,2,2,2-pentafluoroethyl)thiophen-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

231.99812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00540 139.4
[M+Na]+ 254.98734 149.1
[M-H]- 230.99084 135.9
[M+NH4]+ 250.03194 159.0
[M+K]+ 270.96128 145.5
[M+H-H2O]+ 214.99538 131.0
[M+HCOO]- 276.99632 150.4
[M+CH3COO]- 291.01197 184.0
[M+Na-2H]- 252.97279 140.7
[M]+ 231.99757 134.4
[M]- 231.99867 134.4
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