CID 154577138

5-(1,1,2,2,2-pentafluoroethyl)thiophene-3-carbaldehyde

Structural Information

Molecular Formula
C7H3F5OS
SMILES
C1=C(SC=C1C=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C7H3F5OS/c8-6(9,7(10,11)12)5-1-4(2-13)3-14-5/h1-3H
InChIKey
UYJYBQKGDAKSDH-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,2-pentafluoroethyl)thiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.98248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98976 138.4
[M+Na]+ 252.97170 149.0
[M-H]- 228.97520 136.4
[M+NH4]+ 248.01630 158.8
[M+K]+ 268.94564 145.7
[M+H-H2O]+ 212.97974 129.9
[M+HCOO]- 274.98068 151.1
[M+CH3COO]- 288.99633 185.7
[M+Na-2H]- 250.95715 140.1
[M]+ 229.98193 134.7
[M]- 229.98303 134.7
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.