CID 66521479

1-bromo-2-cyclopentylbenzene

Structural Information

Molecular Formula
C11H13Br
SMILES
C1CCC(C1)C2=CC=CC=C2Br
InChI
InChI=1S/C11H13Br/c12-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKey
MCDPIKOPJDSYAD-UHFFFAOYSA-N
Compound name
1-bromo-2-cyclopentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

224.02007 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 146.3
[M+Na]+ 247.00929 156.5
[M-H]- 223.01279 155.2
[M+NH4]+ 242.05389 169.8
[M+K]+ 262.98323 145.6
[M+H-H2O]+ 207.01733 146.7
[M+HCOO]- 269.01827 167.3
[M+CH3COO]- 283.03392 161.4
[M+Na-2H]- 244.99474 151.5
[M]+ 224.01952 161.5
[M]- 224.02062 161.5
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