CID 2783173

3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride

Structural Information

Molecular Formula
C9H3Cl2FOS
SMILES
C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)Cl
InChI
InChI=1S/C9H3Cl2FOS/c10-7-5-2-1-4(12)3-6(5)14-8(7)9(11)13/h1-3H
InChIKey
IUDFNLIAWHEYEZ-UHFFFAOYSA-N
Compound name
3-chloro-6-fluoro-1-benzothiophene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

247.92657 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.93385 143.0
[M+Na]+ 270.91579 156.9
[M-H]- 246.91929 147.5
[M+NH4]+ 265.96039 165.8
[M+K]+ 286.88973 150.5
[M+H-H2O]+ 230.92383 139.6
[M+HCOO]- 292.92477 153.2
[M+CH3COO]- 306.94042 157.5
[M+Na-2H]- 268.90124 144.9
[M]+ 247.92602 149.6
[M]- 247.92712 149.6
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