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

3
Patents

186.96329 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.970566 130.1
[M+Na]+ 209.952508 149.1
[M-H]- 185.956014 138.1
[M+NH4]+ 204.997113 150.2
[M+K]+ 225.926448 135.9
[M+H-H2O]+ 169.960550 127.0
[M+HCOO]- 231.961491 151.6
[M+CH3COO]- 245.977141 194.1
[M+Na-2H]- 207.937956 139.7
[M]+ 186.96274142 145.8
[M]- 186.96383858 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

patents stripe