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]+ 156.96474 130.2
[M+Na]+ 178.94668 143.5
[M-H]- 154.95018 131.7
[M+NH4]+ 173.99128 146.5
[M+K]+ 194.92062 134.0
[M+H-H2O]+ 138.95472 121.9
[M+HCOO]- 200.95566 142.9
[M+CH3COO]- 214.97131 203.6
[M+Na-2H]- 176.93213 135.2
[M]+ 155.95691 134.5
[M]- 155.95801 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.