CID 15018312

4-bromo-2-(methoxymethyl)thiophene

Structural Information

Molecular Formula
C6H7BrOS
SMILES
COCC1=CC(=CS1)Br
InChI
InChI=1S/C6H7BrOS/c1-8-3-6-2-5(7)4-9-6/h2,4H,3H2,1H3
InChIKey
QAOVKNAMURILRG-UHFFFAOYSA-N
Compound name
4-bromo-2-(methoxymethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

205.9401 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.947376 128.9
[M+Na]+ 228.929318 142.8
[M-H]- 204.932824 136.3
[M+NH4]+ 223.973923 154.4
[M+K]+ 244.903258 132.3
[M+H-H2O]+ 188.937360 130.3
[M+HCOO]- 250.938301 148.1
[M+CH3COO]- 264.953951 180.3
[M+Na-2H]- 226.914766 134.1
[M]+ 205.93955142 151.1
[M]- 205.94064858 151.1
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