CID 107299

2,3-dibromopropionitrile

Structural Information

Molecular Formula
C3H3Br2N
SMILES
C(C(C#N)Br)Br
InChI
InChI=1S/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2
InChIKey
ARRIEYYNOLTVTE-UHFFFAOYSA-N
Compound name
2,3-dibromopropanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

197
Patents

210.86322 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.87050 134.7
[M+Na]+ 233.85244 130.4
[M+NH4]+ 228.89704 135.4
[M+K]+ 249.82638 134.5
[M-H]- 209.85594 130.7
[M+Na-2H]- 231.83789 134.6
[M]+ 210.86267 131.5
[M]- 210.86377 131.5
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