CID 59332803

4-bromo-2-(ethoxymethyl)thiophene

Structural Information

Molecular Formula
C7H9BrOS
SMILES
CCOCC1=CC(=CS1)Br
InChI
InChI=1S/C7H9BrOS/c1-2-9-4-7-3-6(8)5-10-7/h3,5H,2,4H2,1H3
InChIKey
YUWSQIHDUSSKRN-UHFFFAOYSA-N
Compound name
4-bromo-2-(ethoxymethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

219.95575 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96303 133.5
[M+Na]+ 242.94497 146.9
[M-H]- 218.94847 140.7
[M+NH4]+ 237.98957 158.4
[M+K]+ 258.91891 136.2
[M+H-H2O]+ 202.95301 134.6
[M+HCOO]- 264.95395 152.4
[M+CH3COO]- 278.96960 183.1
[M+Na-2H]- 240.93042 138.1
[M]+ 219.95520 155.9
[M]- 219.95630 155.9
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