CID 10606871

1-phenylbicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C11H12
SMILES
C1C2CC1(C2)C3=CC=CC=C3
InChI
InChI=1S/C11H12/c1-2-4-10(5-3-1)11-6-9(7-11)8-11/h1-5,9H,6-8H2
InChIKey
QEWRLQJVHCDTOM-UHFFFAOYSA-N
Compound name
1-phenylbicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

144.0939 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.101176 135.8
[M+Na]+ 167.083118 141.0
[M-H]- 143.086624 141.6
[M+NH4]+ 162.127723 142.1
[M+K]+ 183.057058 145.8
[M+H-H2O]+ 127.091160 121.7
[M+HCOO]- 189.092101 150.6
[M+CH3COO]- 203.107751 205.3
[M+Na-2H]- 165.068566 144.6
[M]+ 144.09335142 159.7
[M]- 144.09444858 159.7
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