CID 10942465

3-bromo-1-butyne

Structural Information

Molecular Formula
C4H5Br
SMILES
CC(C#C)Br
InChI
InChI=1S/C4H5Br/c1-3-4(2)5/h1,4H,2H3
InChIKey
PYJVGTWBTIEAMV-UHFFFAOYSA-N
Compound name
3-bromobut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

131.95746 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.96474 114.4
[M+Na]+ 154.94668 128.2
[M-H]- 130.95018 116.3
[M+NH4]+ 149.99128 137.3
[M+K]+ 170.92062 118.4
[M+H-H2O]+ 114.95472 110.1
[M+HCOO]- 176.95566 132.6
[M+CH3COO]- 190.97131 181.0
[M+Na-2H]- 152.93213 122.2
[M]+ 131.95691 125.6
[M]- 131.95801 125.6
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