CID 63968611

2-(4-bromothiophen-2-yl)ethanol

Structural Information

Molecular Formula
C6H7BrOS
SMILES
C1=C(SC=C1Br)CCO
InChI
InChI=1S/C6H7BrOS/c7-5-3-6(1-2-8)9-4-5/h3-4,8H,1-2H2
InChIKey
GPAIEIFXXXKXEH-UHFFFAOYSA-N
Compound name
2-(4-bromothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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 129.2
[M+Na]+ 228.92932 131.3
[M+NH4]+ 223.97392 135.0
[M+K]+ 244.90326 131.4
[M-H]- 204.93282 129.5
[M+Na-2H]- 226.91477 131.7
[M]+ 205.93955 128.7
[M]- 205.94065 128.7
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