CID 13052050

1-(5-bromothiophen-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H7BrOS
SMILES
CC(C1=CC=C(S1)Br)O
InChI
InChI=1S/C6H7BrOS/c1-4(8)5-2-3-6(7)9-5/h2-4,8H,1H3
InChIKey
OTGIFRWTOPRWPY-UHFFFAOYSA-N
Compound name
1-(5-bromothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 130.6
[M+Na]+ 228.929318 143.6
[M-H]- 204.932824 136.7
[M+NH4]+ 223.973923 155.3
[M+K]+ 244.903258 132.6
[M+H-H2O]+ 188.937360 132.1
[M+HCOO]- 250.938301 147.3
[M+CH3COO]- 264.953951 178.5
[M+Na-2H]- 226.914766 134.2
[M]+ 205.93955142 150.4
[M]- 205.94064858 150.4
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