CID 11533

1-bromo-1-propene

Structural Information

Molecular Formula
C3H5Br
SMILES
CC=CBr
InChI
InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3
InChIKey
NNQDMQVWOWCVEM-UHFFFAOYSA-N
Compound name
1-bromoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

2671
Patents

119.95746 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.96474 115.6
[M+Na]+ 142.94668 118.6
[M+NH4]+ 137.99128 121.3
[M+K]+ 158.92062 118.3
[M-H]- 118.95018 114.9
[M+Na-2H]- 140.93213 118.5
[M]+ 119.95691 114.5
[M]- 119.95801 114.5
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