CID 46917980

2-(4-bromothiophen-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H7BrOS
SMILES
C1=C(C(=CS1)Br)CCO
InChI
InChI=1S/C6H7BrOS/c7-6-4-9-3-5(6)1-2-8/h3-4,8H,1-2H2
InChIKey
QNIZYXFOPCXUTG-UHFFFAOYSA-N
Compound name
2-(4-bromothiophen-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.9401 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94738 129.7
[M+Na]+ 228.92932 143.1
[M-H]- 204.93282 135.7
[M+NH4]+ 223.97392 154.5
[M+K]+ 244.90326 131.6
[M+H-H2O]+ 188.93736 131.2
[M+HCOO]- 250.93830 147.5
[M+CH3COO]- 264.95395 177.7
[M+Na-2H]- 226.91477 134.4
[M]+ 205.93955 150.0
[M]- 205.94065 150.0
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