CID 3578054

5-(3-chlorophenyl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C11H7ClOS
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(S2)C=O
InChI
InChI=1S/C11H7ClOS/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H
InChIKey
DNIBJTALGPZHEB-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

221.99062 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99790 144.8
[M+Na]+ 244.97984 156.2
[M-H]- 220.98334 152.8
[M+NH4]+ 240.02444 166.9
[M+K]+ 260.95378 150.7
[M+H-H2O]+ 204.98788 140.0
[M+HCOO]- 266.98882 161.8
[M+CH3COO]- 281.00447 159.4
[M+Na-2H]- 242.96529 146.8
[M]+ 221.99007 149.6
[M]- 221.99117 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