CID 115047482

1-bromo-4-(1-methoxycyclopentyl)benzene

Structural Information

Molecular Formula
C12H15BrO
SMILES
COC1(CCCC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H15BrO/c1-14-12(8-2-3-9-12)10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKey
DOVJGOZIMJWSDA-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-methoxycyclopentyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

254.03062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03790 152.3
[M+Na]+ 277.01984 162.9
[M-H]- 253.02334 161.5
[M+NH4]+ 272.06444 176.5
[M+K]+ 292.99378 152.3
[M+H-H2O]+ 237.02788 153.1
[M+HCOO]- 299.02882 173.2
[M+CH3COO]- 313.04447 189.4
[M+Na-2H]- 275.00529 158.1
[M]+ 254.03007 169.6
[M]- 254.03117 169.6
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