CID 67025022

888491-16-5

Structural Information

Molecular Formula
C36H60Br2S2
SMILES
CCCCCCCCCCCCCCC1=C(SC(=C1)C2=CC(=C(S2)Br)CCCCCCCCCCCCCC)Br
InChI
InChI=1S/C36H60Br2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-33(39-35(31)37)34-30-32(36(38)40-34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
InChIKey
YWKJVWGQFAPEDZ-UHFFFAOYSA-N
Compound name
2-bromo-5-(5-bromo-4-tetradecylthiophen-2-yl)-3-tetradecylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

714.2503 Da
Monoisotopic Mass

19.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.25758 229.5
[M+Na]+ 737.23952 237.0
[M-H]- 713.24302 236.7
[M+NH4]+ 732.28412 240.7
[M+K]+ 753.21346 216.1
[M+H-H2O]+ 697.24756 235.3
[M+HCOO]- 759.24850 235.2
[M+CH3COO]- 773.26415 263.5
[M+Na-2H]- 735.22497 222.2
[M]+ 714.24975 273.2
[M]- 714.25085 273.2
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