CID 53396438

(7-bromo-1-benzothiophen-2-yl)methanol

Structural Information

Molecular Formula
C9H7BrOS
SMILES
C1=CC2=C(C(=C1)Br)SC(=C2)CO
InChI
InChI=1S/C9H7BrOS/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4,11H,5H2
InChIKey
GOQLHIBVKJDKPR-UHFFFAOYSA-N
Compound name
(7-bromo-1-benzothiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

241.9401 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.947376 136.3
[M+Na]+ 264.929318 151.5
[M-H]- 240.932824 143.7
[M+NH4]+ 259.973923 161.1
[M+K]+ 280.903258 139.3
[M+H-H2O]+ 224.937360 138.3
[M+HCOO]- 286.938301 154.6
[M+CH3COO]- 300.953951 153.1
[M+Na-2H]- 262.914766 142.9
[M]+ 241.93955142 158.6
[M]- 241.94064858 158.6
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