CID 639660

1-bromo-1-propene

Structural Information

Molecular Formula
C3H5Br
SMILES
C/C=C/Br
InChI
InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2+
InChIKey
NNQDMQVWOWCVEM-NSCUHMNNSA-N
Compound name
(E)-1-bromoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

2298
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 114.0
[M+Na]+ 142.94668 126.4
[M-H]- 118.95018 117.7
[M+NH4]+ 137.99128 140.1
[M+K]+ 158.92062 116.8
[M+H-H2O]+ 102.95472 115.9
[M+HCOO]- 164.95566 136.5
[M+CH3COO]- 178.97131 168.3
[M+Na-2H]- 140.93213 124.0
[M]+ 119.95691 131.9
[M]- 119.95801 131.9
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.