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]+ 255.037896 152.3
[M+Na]+ 277.019838 162.9
[M-H]- 253.023344 161.5
[M+NH4]+ 272.064443 176.5
[M+K]+ 292.993778 152.3
[M+H-H2O]+ 237.027880 153.1
[M+HCOO]- 299.028821 173.2
[M+CH3COO]- 313.044471 189.4
[M+Na-2H]- 275.005286 158.1
[M]+ 254.03007142 169.6
[M]- 254.03116858 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