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]+ 241.02226 135.6
[M+Na]+ 263.00420 145.8
[M-H]- 239.00770 144.9
[M+NH4]+ 258.04880 152.9
[M+K]+ 278.97814 138.5
[M+H-H2O]+ 223.01224 132.3
[M+HCOO]- 285.01318 156.1
[M+CH3COO]- 299.02883 191.5
[M+Na-2H]- 260.98965 144.5
[M]+ 240.01443 162.0
[M]- 240.01553 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