CID 59332759

2-bromo-5-(2-methoxyethyl)thiophene

Structural Information

Molecular Formula
C7H9BrOS
SMILES
COCCC1=CC=C(S1)Br
InChI
InChI=1S/C7H9BrOS/c1-9-5-4-6-2-3-7(8)10-6/h2-3H,4-5H2,1H3
InChIKey
CUAWUGTZOFTTOE-UHFFFAOYSA-N
Compound name
2-bromo-5-(2-methoxyethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.95575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.963026 133.5
[M+Na]+ 242.944968 146.9
[M-H]- 218.948474 140.7
[M+NH4]+ 237.989573 158.4
[M+K]+ 258.918908 136.2
[M+H-H2O]+ 202.953010 134.6
[M+HCOO]- 264.953951 152.4
[M+CH3COO]- 278.969601 183.1
[M+Na-2H]- 240.930416 138.1
[M]+ 219.95520142 155.9
[M]- 219.95629858 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