CID 165713601

2,4-dibromo-1-(but-3-yn-1-yl)benzene

Structural Information

Molecular Formula
C10H8Br2
SMILES
C#CCCC1=C(C=C(C=C1)Br)Br
InChI
InChI=1S/C10H8Br2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h1,5-7H,3-4H2
InChIKey
BIWKNVXGWVNBBD-UHFFFAOYSA-N
Compound name
2,4-dibromo-1-but-3-ynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.8993 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.90658 130.2
[M+Na]+ 308.88852 143.8
[M-H]- 284.89202 133.7
[M+NH4]+ 303.93312 148.0
[M+K]+ 324.86246 127.2
[M+H-H2O]+ 268.89656 133.1
[M+HCOO]- 330.89750 146.3
[M+CH3COO]- 344.91315 208.5
[M+Na-2H]- 306.87397 137.2
[M]+ 285.89875 156.9
[M]- 285.89985 156.9
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.