CID 11202

2-bromopropene

Structural Information

Molecular Formula
C3H5Br
SMILES
CC(=C)Br
InChI
InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3
InChIKey
PHMRPWPDDRGGGF-UHFFFAOYSA-N
Compound name
2-bromoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

3170
Patents

119.95746 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.96474 114.5
[M+Na]+ 142.94668 126.6
[M-H]- 118.95018 118.3
[M+NH4]+ 137.99128 140.5
[M+K]+ 158.92062 117.3
[M+H-H2O]+ 102.95472 116.4
[M+HCOO]- 164.95566 136.1
[M+CH3COO]- 178.97131 169.7
[M+Na-2H]- 140.93213 123.3
[M]+ 119.95691 131.8
[M]- 119.95801 131.8
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