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]+ 239.04298 150.3
[M+Na]+ 261.02492 160.1
[M-H]- 237.02842 159.1
[M+NH4]+ 256.06952 174.9
[M+K]+ 276.99886 149.1
[M+H-H2O]+ 221.03296 151.0
[M+HCOO]- 283.03390 171.0
[M+CH3COO]- 297.04955 165.1
[M+Na-2H]- 259.01037 156.6
[M]+ 238.03515 165.9
[M]- 238.03625 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