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

75
Patents

191.92445 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.931726 124.3
[M+Na]+ 214.913668 138.6
[M-H]- 190.917174 131.9
[M+NH4]+ 209.958273 150.4
[M+K]+ 230.887608 128.5
[M+H-H2O]+ 174.921710 125.9
[M+HCOO]- 236.922651 143.9
[M+CH3COO]- 250.938301 177.5
[M+Na-2H]- 212.899116 130.1
[M]+ 191.92390142 146.2
[M]- 191.92499858 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