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

19
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

literature stripe

Patent stripe

patents stripe