CID 54324133

1-bromo-4-cyclopentylbenzene

Structural Information

Molecular Formula
C11H13Br
SMILES
C1CCC(C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H13Br/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9H,1-4H2
InChIKey
NVJMEQDYMUAAKL-UHFFFAOYSA-N
Compound name
1-bromo-4-cyclopentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

224.02007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.027346 146.3
[M+Na]+ 247.009288 156.5
[M-H]- 223.012794 155.2
[M+NH4]+ 242.053893 169.8
[M+K]+ 262.983228 145.6
[M+H-H2O]+ 207.017330 146.7
[M+HCOO]- 269.018271 167.3
[M+CH3COO]- 283.033921 161.4
[M+Na-2H]- 244.994736 151.5
[M]+ 224.01952142 161.5
[M]- 224.02061858 161.5
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