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

228
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 112.0
[M+Na]+ 233.85244 124.9
[M-H]- 209.85594 114.5
[M+NH4]+ 228.89704 131.7
[M+K]+ 249.82638 110.4
[M+H-H2O]+ 193.86048 114.2
[M+HCOO]- 255.86142 129.5
[M+CH3COO]- 269.87707 201.7
[M+Na-2H]- 231.83789 120.8
[M]+ 210.86267 138.1
[M]- 210.86377 138.1
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