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

70
Patents

205.9401 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94738 128.9
[M+Na]+ 228.92932 142.8
[M-H]- 204.93282 136.3
[M+NH4]+ 223.97392 154.4
[M+K]+ 244.90326 132.3
[M+H-H2O]+ 188.93736 130.3
[M+HCOO]- 250.93830 148.1
[M+CH3COO]- 264.95395 180.3
[M+Na-2H]- 226.91477 134.1
[M]+ 205.93955 151.1
[M]- 205.94065 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