CID 15643889

2-bromo-5-methoxythiophene

Structural Information

Molecular Formula
C5H5BrOS
SMILES
COC1=CC=C(S1)Br
InChI
InChI=1S/C5H5BrOS/c1-7-5-3-2-4(6)8-5/h2-3H,1H3
InChIKey
KQPQXZDIPWYWJO-UHFFFAOYSA-N
Compound name
2-bromo-5-methoxythiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

191.92445 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.93173 124.3
[M+Na]+ 214.91367 138.6
[M-H]- 190.91717 131.9
[M+NH4]+ 209.95827 150.4
[M+K]+ 230.88761 128.5
[M+H-H2O]+ 174.92171 125.9
[M+HCOO]- 236.92265 143.9
[M+CH3COO]- 250.93830 177.5
[M+Na-2H]- 212.89912 130.1
[M]+ 191.92390 146.2
[M]- 191.92500 146.2
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