CID 16414192

189331-47-3

Structural Information

Molecular Formula
C6H5BrOS
SMILES
CC1=C(SC(=C1)C=O)Br
InChI
InChI=1S/C6H5BrOS/c1-4-2-5(3-8)9-6(4)7/h2-3H,1H3
InChIKey
FATNNNCLTSHUQL-UHFFFAOYSA-N
Compound name
5-bromo-4-methylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

203.92445 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.93173 127.6
[M+Na]+ 226.91367 130.5
[M+NH4]+ 221.95827 133.5
[M+K]+ 242.88761 130.5
[M-H]- 202.91717 128.1
[M+Na-2H]- 224.89912 130.4
[M]+ 203.92390 127.3
[M]- 203.92500 127.3
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