CID 22247846

4-fluorothiophene-3-carbaldehyde

Structural Information

Molecular Formula
C5H3FOS
SMILES
C1=C(C(=CS1)F)C=O
InChI
InChI=1S/C5H3FOS/c6-5-3-8-2-4(5)1-7/h1-3H
InChIKey
QSXQHBKWSNXBEZ-UHFFFAOYSA-N
Compound name
4-fluorothiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

129.98886 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.99614 119.0
[M+Na]+ 152.97808 129.7
[M-H]- 128.98158 122.5
[M+NH4]+ 148.02268 143.7
[M+K]+ 168.95202 127.8
[M+H-H2O]+ 112.98612 113.8
[M+HCOO]- 174.98706 139.7
[M+CH3COO]- 189.00271 168.3
[M+Na-2H]- 150.96353 122.2
[M]+ 129.98831 120.5
[M]- 129.98941 120.5
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