CID 11534

Bromoacetonitrile

Structural Information

Molecular Formula
C2H2BrN
SMILES
C(C#N)Br
InChI
InChI=1S/C2H2BrN/c3-1-2-4/h1H2
InChIKey
REXUYBKPWIPONM-UHFFFAOYSA-N
Compound name
2-bromoacetonitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

24
References

18977
Patents

118.93706 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.94434 107.7
[M+Na]+ 141.92628 121.7
[M-H]- 117.92978 110.6
[M+NH4]+ 136.97088 131.1
[M+K]+ 157.90022 112.7
[M+H-H2O]+ 101.93432 102.6
[M+HCOO]- 163.93526 129.2
[M+CH3COO]- 177.95091 181.4
[M+Na-2H]- 139.91173 118.0
[M]+ 118.93651 119.5
[M]- 118.93761 119.5
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.