CID 85537602

1-bromo-3-phenylbicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C11H11Br
SMILES
C1C2(CC1(C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C11H11Br/c12-11-6-10(7-11,8-11)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
GAYLHOPBARFKFK-UHFFFAOYSA-N
Compound name
1-bromo-3-phenylbicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.00441 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01169 133.7
[M+Na]+ 244.99363 142.1
[M-H]- 220.99713 141.8
[M+NH4]+ 240.03823 142.7
[M+K]+ 260.96757 140.4
[M+H-H2O]+ 205.00167 126.6
[M+HCOO]- 267.00261 147.4
[M+CH3COO]- 281.01826 212.1
[M+Na-2H]- 242.97908 144.6
[M]+ 222.00386 170.3
[M]- 222.00496 170.3
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

No patent data available for this compound.