CID 25171269

1-bromohexa-2,4-diyne

Structural Information

Molecular Formula
C6H5Br
SMILES
CC#CC#CCBr
InChI
InChI=1S/C6H5Br/c1-2-3-4-5-6-7/h6H2,1H3
InChIKey
NHJJBHQNCMQFSD-UHFFFAOYSA-N
Compound name
1-bromohexa-2,4-diyne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.95746 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.964736 130.2
[M+Na]+ 178.946678 143.5
[M-H]- 154.950184 131.7
[M+NH4]+ 173.991283 146.5
[M+K]+ 194.920618 134.0
[M+H-H2O]+ 138.954720 121.9
[M+HCOO]- 200.955661 142.9
[M+CH3COO]- 214.971311 203.6
[M+Na-2H]- 176.932126 135.2
[M]+ 155.95691142 134.5
[M]- 155.95800858 134.5
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.