CID 15538212

4-bromo-5-methylthiophene-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
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 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

literature stripe

Patent stripe

patents stripe