CID 393451

Nsc695359

Structural Information

Molecular Formula
C24H28Br2
SMILES
C1CCC(CC1)CC#CC2=C(C(=C(C=C2)C#CCC3CCCCC3)Br)Br
InChI
InChI=1S/C24H28Br2/c25-23-21(15-7-13-19-9-3-1-4-10-19)17-18-22(24(23)26)16-8-14-20-11-5-2-6-12-20/h17-20H,1-6,9-14H2
InChIKey
RUPISUHOEMNSSY-UHFFFAOYSA-N
Compound name
2,3-dibromo-1,4-bis(3-cyclohexylprop-1-ynyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.0558 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.06308 173.5
[M+Na]+ 497.04502 183.4
[M-H]- 473.04852 175.6
[M+NH4]+ 492.08962 182.2
[M+K]+ 513.01896 165.4
[M+H-H2O]+ 457.05306 170.9
[M+HCOO]- 519.05400 180.8
[M+CH3COO]- 533.06965 178.9
[M+Na-2H]- 495.03047 172.1
[M]+ 474.05525 184.4
[M]- 474.05635 184.4
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.