CID 146155340

1-(2-bromoacetyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C6H6BrNO
SMILES
C1CC1(C#N)C(=O)CBr
InChI
InChI=1S/C6H6BrNO/c7-3-5(9)6(4-8)1-2-6/h1-3H2
InChIKey
FSUXZQBNHQKOIE-UHFFFAOYSA-N
Compound name
1-(2-bromoacetyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.96329 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 130.1
[M+Na]+ 209.95251 149.1
[M-H]- 185.95601 138.1
[M+NH4]+ 204.99711 150.2
[M+K]+ 225.92645 135.9
[M+H-H2O]+ 169.96055 127.0
[M+HCOO]- 231.96149 151.6
[M+CH3COO]- 245.97714 194.1
[M+Na-2H]- 207.93796 139.7
[M]+ 186.96274 145.8
[M]- 186.96384 145.8
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.