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

33
Patents

205.9401 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94738 130.6
[M+Na]+ 228.92932 143.6
[M-H]- 204.93282 136.7
[M+NH4]+ 223.97392 155.3
[M+K]+ 244.90326 132.6
[M+H-H2O]+ 188.93736 132.1
[M+HCOO]- 250.93830 147.3
[M+CH3COO]- 264.95395 178.5
[M+Na-2H]- 226.91477 134.2
[M]+ 205.93955 150.4
[M]- 205.94065 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