CID 268923

2,5-bis(4-bromophenyl)thiophene

Structural Information

Molecular Formula
C16H10Br2S
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(C=C3)Br)Br
InChI
InChI=1S/C16H10Br2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10H
InChIKey
NSEMERYXZLFBKN-UHFFFAOYSA-N
Compound name
2,5-bis(4-bromophenyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

391.887 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.89428 156.2
[M+Na]+ 414.87622 168.9
[M-H]- 390.87972 168.8
[M+NH4]+ 409.92082 175.0
[M+K]+ 430.85016 153.0
[M+H-H2O]+ 374.88426 165.5
[M+HCOO]- 436.88520 170.7
[M+CH3COO]- 450.90085 170.9
[M+Na-2H]- 412.86167 160.4
[M]+ 391.88645 191.9
[M]- 391.88755 191.9
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.