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

1
Patents

205.02943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.036706 135.8
[M+Na]+ 228.018648 147.3
[M-H]- 204.022154 142.3
[M+NH4]+ 223.063253 150.2
[M+K]+ 243.992588 144.9
[M+H-H2O]+ 188.026690 121.2
[M+HCOO]- 250.027631 151.4
[M+CH3COO]- 264.043281 198.2
[M+Na-2H]- 226.004096 142.1
[M]+ 205.02888142 140.3
[M]- 205.02997858 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

patents stripe