CID 12479010

(2-bromothiophen-3-yl)methanol

Structural Information

Molecular Formula
C5H5BrOS
SMILES
C1=CSC(=C1CO)Br
InChI
InChI=1S/C5H5BrOS/c6-5-4(3-7)1-2-8-5/h1-2,7H,3H2
InChIKey
BOJYRNFSHPAZBL-UHFFFAOYSA-N
Compound name
(2-bromothiophen-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

191.92445 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.93173 124.8
[M+Na]+ 214.91367 127.1
[M+NH4]+ 209.95827 130.8
[M+K]+ 230.88761 127.4
[M-H]- 190.91717 125.1
[M+Na-2H]- 212.89912 127.6
[M]+ 191.92390 124.4
[M]- 191.92500 124.4
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