CID 65641034

5-bromo-2-methylthiophene-3-carbaldehyde

Structural Information

Molecular Formula
C6H5BrOS
SMILES
CC1=C(C=C(S1)Br)C=O
InChI
InChI=1S/C6H5BrOS/c1-4-5(3-8)2-6(7)9-4/h2-3H,1H3
InChIKey
UOKDMKCVRMGXAA-UHFFFAOYSA-N
Compound name
5-bromo-2-methylthiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

203.92445 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.93173 126.8
[M+Na]+ 226.91367 141.7
[M-H]- 202.91717 134.6
[M+NH4]+ 221.95827 152.6
[M+K]+ 242.88761 130.7
[M+H-H2O]+ 186.92171 128.4
[M+HCOO]- 248.92265 146.2
[M+CH3COO]- 262.93830 180.4
[M+Na-2H]- 224.89912 131.5
[M]+ 203.92390 148.6
[M]- 203.92500 148.6
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