CID 11073464

4-bromobut-1-yne

Structural Information

Molecular Formula
C4H5Br
SMILES
C#CCCBr
InChI
InChI=1S/C4H5Br/c1-2-3-4-5/h1H,3-4H2
InChIKey
XLYOGWXIKVUXCL-UHFFFAOYSA-N
Compound name
4-bromobut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1028
Patents

131.95746 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.96474 112.9
[M+Na]+ 154.94668 127.0
[M-H]- 130.95018 114.7
[M+NH4]+ 149.99128 135.9
[M+K]+ 170.92062 116.8
[M+H-H2O]+ 114.95472 108.6
[M+HCOO]- 176.95566 132.0
[M+CH3COO]- 190.97131 180.4
[M+Na-2H]- 152.93213 121.9
[M]+ 131.95691 124.7
[M]- 131.95801 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe