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

18884
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

literature stripe

Patent stripe

patents stripe