CID 70700887

5-fluoro-2,3-thiophenedicarboxaldehyde

Structural Information

Molecular Formula
C6H3FO2S
SMILES
C1=C(SC(=C1C=O)C=O)F
InChI
InChI=1S/C6H3FO2S/c7-6-1-4(2-8)5(3-9)10-6/h1-3H
InChIKey
UHZWVDHHMHBMDX-UHFFFAOYSA-N
Compound name
5-fluorothiophene-2,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

157.98378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.99106 125.3
[M+Na]+ 180.97300 136.6
[M-H]- 156.97650 128.9
[M+NH4]+ 176.01760 149.0
[M+K]+ 196.94694 134.2
[M+H-H2O]+ 140.98104 120.0
[M+HCOO]- 202.98198 146.1
[M+CH3COO]- 216.99763 173.4
[M+Na-2H]- 178.95845 127.5
[M]+ 157.98323 128.3
[M]- 157.98433 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe