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

38
Patents

203.92445 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.931726 126.8
[M+Na]+ 226.913668 141.7
[M-H]- 202.917174 134.6
[M+NH4]+ 221.958273 152.6
[M+K]+ 242.887608 130.7
[M+H-H2O]+ 186.921710 128.4
[M+HCOO]- 248.922651 146.2
[M+CH3COO]- 262.938301 180.4
[M+Na-2H]- 224.899116 131.5
[M]+ 203.92390142 148.6
[M]- 203.92499858 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