CID 10465187

3-bromo-2-methoxythiophene

Structural Information

Molecular Formula
C5H5BrOS
SMILES
COC1=C(C=CS1)Br
InChI
InChI=1S/C5H5BrOS/c1-7-5-4(6)2-3-8-5/h2-3H,1H3
InChIKey
ROFXCQFBPVZYIH-UHFFFAOYSA-N
Compound name
3-bromo-2-methoxythiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

191.92445 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe