CID 17020

3-bromopropionitrile

Structural Information

Molecular Formula
C3H4BrN
SMILES
C(CBr)C#N
InChI
InChI=1S/C3H4BrN/c4-2-1-3-5/h1-2H2
InChIKey
CQZIEDXCLQOOEH-UHFFFAOYSA-N
Compound name
3-bromopropanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2977
Patents

132.95271 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.95999 120.3
[M+Na]+ 155.94193 123.4
[M+NH4]+ 150.98653 123.1
[M+K]+ 171.91587 120.5
[M-H]- 131.94543 113.7
[M+Na-2H]- 153.92738 121.3
[M]+ 132.95216 117.1
[M]- 132.95326 117.1
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