CID 119031552

1-(bromomethyl)-4-cyclopentylbenzene

Structural Information

Molecular Formula
C12H15Br
SMILES
C1CCC(C1)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C12H15Br/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-8,11H,1-4,9H2
InChIKey
WAUFZRUNRFFLMI-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-cyclopentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.0357 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.042976 151.0
[M+Na]+ 261.024918 160.7
[M-H]- 237.028424 159.7
[M+NH4]+ 256.069523 173.9
[M+K]+ 276.998858 149.6
[M+H-H2O]+ 221.032960 151.2
[M+HCOO]- 283.033901 171.6
[M+CH3COO]- 297.049551 188.1
[M+Na-2H]- 259.010366 155.6
[M]+ 238.03515142 166.5
[M]- 238.03624858 166.5
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