CID 64903978

1-(2-chlorophenyl)-3-oxocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C11H8ClNO
SMILES
C1C(=O)CC1(C#N)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H8ClNO/c12-10-4-2-1-3-9(10)11(7-13)5-8(14)6-11/h1-4H,5-6H2
InChIKey
NUWZSTBBPPMCCY-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-oxocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.02943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03671 135.8
[M+Na]+ 228.01865 147.3
[M-H]- 204.02215 142.3
[M+NH4]+ 223.06325 150.2
[M+K]+ 243.99259 144.9
[M+H-H2O]+ 188.02669 121.2
[M+HCOO]- 250.02763 151.4
[M+CH3COO]- 264.04328 198.2
[M+Na-2H]- 226.00410 142.1
[M]+ 205.02888 140.3
[M]- 205.02998 140.3
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.