CID 21732078

29669-44-1

Structural Information

Molecular Formula
C6H5FOS
SMILES
CC(=O)C1=CC=C(S1)F
InChI
InChI=1S/C6H5FOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChIKey
OLXPYTRVAAFVHG-UHFFFAOYSA-N
Compound name
1-(5-fluorothiophen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

144.00452 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01180 124.1
[M+Na]+ 166.99374 134.1
[M-H]- 142.99724 127.5
[M+NH4]+ 162.03834 148.2
[M+K]+ 182.96768 132.3
[M+H-H2O]+ 127.00178 118.7
[M+HCOO]- 189.00272 143.4
[M+CH3COO]- 203.01837 172.1
[M+Na-2H]- 164.97919 125.7
[M]+ 144.00397 125.4
[M]- 144.00507 125.4
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