CID 3578056

5-(4-bromophenyl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C11H7BrOS
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C=O)Br
InChI
InChI=1S/C11H7BrOS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey
HKRFAVKXDXDKBW-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

265.9401 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.947376 143.4
[M+Na]+ 288.929318 157.6
[M-H]- 264.932824 153.9
[M+NH4]+ 283.973923 166.6
[M+K]+ 304.903258 145.5
[M+H-H2O]+ 248.937360 144.4
[M+HCOO]- 310.938301 163.0
[M+CH3COO]- 324.953951 160.0
[M+Na-2H]- 286.914766 147.9
[M]+ 265.93955142 164.9
[M]- 265.94064858 164.9
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