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

2
Patents

238.0357 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04298 151.0
[M+Na]+ 261.02492 160.7
[M-H]- 237.02842 159.7
[M+NH4]+ 256.06952 173.9
[M+K]+ 276.99886 149.6
[M+H-H2O]+ 221.03296 151.2
[M+HCOO]- 283.03390 171.6
[M+CH3COO]- 297.04955 188.1
[M+Na-2H]- 259.01037 155.6
[M]+ 238.03515 166.5
[M]- 238.03625 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