CID 12646612

4-bromo-5-methoxythiophene-2-carbaldehyde

Structural Information

Molecular Formula
C6H5BrO2S
SMILES
COC1=C(C=C(S1)C=O)Br
InChI
InChI=1S/C6H5BrO2S/c1-9-6-5(7)2-4(3-8)10-6/h2-3H,1H3
InChIKey
VCUVVHCEXSTWFK-UHFFFAOYSA-N
Compound name
4-bromo-5-methoxythiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.91936 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.926636 129.9
[M+Na]+ 242.908578 144.6
[M-H]- 218.912084 137.6
[M+NH4]+ 237.953183 154.9
[M+K]+ 258.882518 134.0
[M+H-H2O]+ 202.916620 131.3
[M+HCOO]- 264.917561 149.5
[M+CH3COO]- 278.933211 182.3
[M+Na-2H]- 240.894026 134.6
[M]+ 219.91881142 153.0
[M]- 219.91990858 153.0
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