CID 20750617

57070-78-7

Structural Information

Molecular Formula
C6H7BrOS
SMILES
C1=C(SC(=C1)Br)CCO
InChI
InChI=1S/C6H7BrOS/c7-6-2-1-5(9-6)3-4-8/h1-2,8H,3-4H2
InChIKey
IHOCRMPRADFCNM-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

205.9401 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.947376 129.7
[M+Na]+ 228.929318 143.1
[M-H]- 204.932824 135.7
[M+NH4]+ 223.973923 154.5
[M+K]+ 244.903258 131.6
[M+H-H2O]+ 188.937360 131.2
[M+HCOO]- 250.938301 147.5
[M+CH3COO]- 264.953951 177.7
[M+Na-2H]- 226.914766 134.4
[M]+ 205.93955142 150.0
[M]- 205.94064858 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