CID 18412120

[1-(bromomethyl)cyclopentyl]benzene

Structural Information

Molecular Formula
C12H15Br
SMILES
C1CCC(C1)(CBr)C2=CC=CC=C2
InChI
InChI=1S/C12H15Br/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey
NQPQJJBZJGSGBS-UHFFFAOYSA-N
Compound name
[1-(bromomethyl)cyclopentyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

238.0357 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.042976 150.3
[M+Na]+ 261.024918 160.1
[M-H]- 237.028424 159.1
[M+NH4]+ 256.069523 174.9
[M+K]+ 276.998858 149.1
[M+H-H2O]+ 221.032960 151.0
[M+HCOO]- 283.033901 171.0
[M+CH3COO]- 297.049551 165.1
[M+Na-2H]- 259.010366 156.6
[M]+ 238.03515142 165.9
[M]- 238.03624858 165.9
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