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]+ 266.94738 143.4
[M+Na]+ 288.92932 157.6
[M-H]- 264.93282 153.9
[M+NH4]+ 283.97392 166.6
[M+K]+ 304.90326 145.5
[M+H-H2O]+ 248.93736 144.4
[M+HCOO]- 310.93830 163.0
[M+CH3COO]- 324.95395 160.0
[M+Na-2H]- 286.91477 147.9
[M]+ 265.93955 164.9
[M]- 265.94065 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.