CID 2795253

2-[4-(bromomethyl)phenyl]thiophene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

251.96083 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96811 141.5
[M+Na]+ 274.95005 154.9
[M-H]- 250.95355 151.8
[M+NH4]+ 269.99465 165.2
[M+K]+ 290.92399 142.9
[M+H-H2O]+ 234.95809 142.6
[M+HCOO]- 296.95903 160.8
[M+CH3COO]- 310.97468 157.9
[M+Na-2H]- 272.93550 146.5
[M]+ 251.96028 162.0
[M]- 251.96138 162.0
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