CID 98621

28049-61-8

Structural Information

Molecular Formula
C11H10ClN
SMILES
C1CC(C1)(C#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2
InChIKey
XQONXPWVIZZJIL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

460
Patents

191.05017 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05745 133.8
[M+Na]+ 214.03939 144.4
[M-H]- 190.04289 139.9
[M+NH4]+ 209.08399 148.5
[M+K]+ 230.01333 141.8
[M+H-H2O]+ 174.04743 119.0
[M+HCOO]- 236.04837 149.1
[M+CH3COO]- 250.06402 196.3
[M+Na-2H]- 212.02484 140.7
[M]+ 191.04962 137.3
[M]- 191.05072 137.3
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