CID 2776313

2-bromo-5-phenylthiophene

Structural Information

Molecular Formula
C10H7BrS
SMILES
C1=CC=C(C=C1)C2=CC=C(S2)Br
InChI
InChI=1S/C10H7BrS/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H
InChIKey
RVCTZBRMQZWVDA-UHFFFAOYSA-N
Compound name
2-bromo-5-phenylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

237.94518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.95246 137.0
[M+Na]+ 260.93440 150.8
[M-H]- 236.93790 147.4
[M+NH4]+ 255.97900 161.2
[M+K]+ 276.90834 139.1
[M+H-H2O]+ 220.94244 138.2
[M+HCOO]- 282.94338 156.6
[M+CH3COO]- 296.95903 153.8
[M+Na-2H]- 258.91985 142.5
[M]+ 237.94463 157.2
[M]- 237.94573 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe