CID 140538

2-bromopropionitrile

Structural Information

Molecular Formula
C3H4BrN
SMILES
CC(C#N)Br
InChI
InChI=1S/C3H4BrN/c1-3(4)2-5/h3H,1H3
InChIKey
PYNYHMRMZOGVML-UHFFFAOYSA-N
Compound name
2-bromopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2492
Patents

132.95271 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.95999 113.4
[M+Na]+ 155.94193 126.9
[M-H]- 131.94543 116.3
[M+NH4]+ 150.98653 136.3
[M+K]+ 171.91587 117.9
[M+H-H2O]+ 115.94997 108.1
[M+HCOO]- 177.95091 133.8
[M+CH3COO]- 191.96656 184.6
[M+Na-2H]- 153.92738 122.0
[M]+ 132.95216 125.0
[M]- 132.95326 125.0
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