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

5
Patents

219.91936 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.92664 129.9
[M+Na]+ 242.90858 144.6
[M-H]- 218.91208 137.6
[M+NH4]+ 237.95318 154.9
[M+K]+ 258.88252 134.0
[M+H-H2O]+ 202.91662 131.3
[M+HCOO]- 264.91756 149.5
[M+CH3COO]- 278.93321 182.3
[M+Na-2H]- 240.89403 134.6
[M]+ 219.91881 153.0
[M]- 219.91991 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