CID 13773538

3-[4-(bromomethyl)phenyl]thiophene

Structural Information

Molecular Formula
C11H9BrS
SMILES
C1=CC(=CC=C1CBr)C2=CSC=C2
InChI
InChI=1S/C11H9BrS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-6,8H,7H2
InChIKey
CCUJJVAQFMGIJO-UHFFFAOYSA-N
Compound name
3-[4-(bromomethyl)phenyl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

251.96083 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96811 138.3
[M+Na]+ 274.95005 143.1
[M+NH4]+ 269.99465 145.4
[M+K]+ 290.92399 141.2
[M-H]- 250.95355 141.8
[M+Na-2H]- 272.93550 144.5
[M]+ 251.96028 139.4
[M]- 251.96138 139.4
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