CID 106719

1-bromo-4-(2-methylbutoxy)benzene

Structural Information

Molecular Formula
C11H15BrO
SMILES
CCC(C)COC1=CC=C(C=C1)Br
InChI
InChI=1S/C11H15BrO/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKey
XCCKZXAUGDVBSB-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-methylbutoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

242.03062 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.037896 147.7
[M+Na]+ 265.019838 158.1
[M-H]- 241.023344 153.8
[M+NH4]+ 260.064443 169.1
[M+K]+ 280.993778 147.6
[M+H-H2O]+ 225.027880 147.7
[M+HCOO]- 287.028821 168.3
[M+CH3COO]- 301.044471 191.4
[M+Na-2H]- 263.005286 153.8
[M]+ 242.03007142 167.9
[M]- 242.03116858 167.9
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