CID 68521362

(2-bromo-1-cyclopentylethyl)benzene

Structural Information

Molecular Formula
C13H17Br
SMILES
C1CCC(C1)C(CBr)C2=CC=CC=C2
InChI
InChI=1S/C13H17Br/c14-10-13(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKey
DTTKSLMMZQTFGD-UHFFFAOYSA-N
Compound name
(2-bromo-1-cyclopentylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

252.05136 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.05864 157.2
[M+Na]+ 275.04058 165.3
[M-H]- 251.04408 165.4
[M+NH4]+ 270.08518 179.1
[M+K]+ 291.01452 154.3
[M+H-H2O]+ 235.04862 157.0
[M+HCOO]- 297.04956 176.4
[M+CH3COO]- 311.06521 190.6
[M+Na-2H]- 273.02603 160.6
[M]+ 252.05081 172.0
[M]- 252.05191 172.0
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