CID 115044039

1-bromo-3-(1-methoxycyclobutyl)benzene

Structural Information

Molecular Formula
C11H13BrO
SMILES
COC1(CCC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H13BrO/c1-13-11(6-3-7-11)9-4-2-5-10(12)8-9/h2,4-5,8H,3,6-7H2,1H3
InChIKey
HOJVUOBYINTZGI-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-methoxycyclobutyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.01498 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 135.6
[M+Na]+ 263.004198 145.8
[M-H]- 239.007704 144.9
[M+NH4]+ 258.048803 152.9
[M+K]+ 278.978138 138.5
[M+H-H2O]+ 223.012240 132.3
[M+HCOO]- 285.013181 156.1
[M+CH3COO]- 299.028831 191.5
[M+Na-2H]- 260.989646 144.5
[M]+ 240.01443142 162.0
[M]- 240.01552858 162.0
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