CID 17842620

234107-52-9

Structural Information

Molecular Formula
C9H5ClOS
SMILES
C1=CC2=C(C=C1Cl)SC(=C2)C=O
InChI
InChI=1S/C9H5ClOS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-5H
InChIKey
RTDMINFRPDGVIG-UHFFFAOYSA-N
Compound name
6-chloro-1-benzothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

195.97496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.982236 135.5
[M+Na]+ 218.964178 148.8
[M-H]- 194.967684 141.6
[M+NH4]+ 214.008783 160.0
[M+K]+ 234.938118 143.5
[M+H-H2O]+ 178.972220 131.9
[M+HCOO]- 240.973161 152.9
[M+CH3COO]- 254.988811 151.1
[M+Na-2H]- 216.949626 140.2
[M]+ 195.97441142 142.3
[M]- 195.97550858 142.3
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