CID 53758969

4-fluorobenzo[b]thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C9H5FOS
SMILES
C1=CC(=C2C=C(SC2=C1)C=O)F
InChI
InChI=1S/C9H5FOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-5H
InChIKey
DGMXKGSZWIOWJL-UHFFFAOYSA-N
Compound name
4-fluoro-1-benzothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

180.00452 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01180 130.3
[M+Na]+ 202.99374 143.0
[M-H]- 178.99724 135.2
[M+NH4]+ 198.03834 154.6
[M+K]+ 218.96768 139.0
[M+H-H2O]+ 163.00178 125.0
[M+HCOO]- 225.00272 151.4
[M+CH3COO]- 239.01837 145.9
[M+Na-2H]- 200.97919 135.1
[M]+ 180.00397 134.3
[M]- 180.00507 134.3
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