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

13
Patents

241.9401 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94738 136.3
[M+Na]+ 264.92932 151.5
[M-H]- 240.93282 143.7
[M+NH4]+ 259.97392 161.1
[M+K]+ 280.90326 139.3
[M+H-H2O]+ 224.93736 138.3
[M+HCOO]- 286.93830 154.6
[M+CH3COO]- 300.95395 153.1
[M+Na-2H]- 262.91477 142.9
[M]+ 241.93955 158.6
[M]- 241.94065 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

No patent data available for this compound.