CID 57593946

4-bromo-1-isopropyl-2-methoxybenzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC(C)C1=C(C=C(C=C1)Br)OC
InChI
InChI=1S/C10H13BrO/c1-7(2)9-5-4-8(11)6-10(9)12-3/h4-7H,1-3H3
InChIKey
LKCIPBSEEFZRGN-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxy-1-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

228.01498 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.022256 141.9
[M+Na]+ 251.004198 153.6
[M-H]- 227.007704 148.6
[M+NH4]+ 246.048803 164.2
[M+K]+ 266.978138 143.4
[M+H-H2O]+ 211.012240 142.4
[M+HCOO]- 273.013181 162.9
[M+CH3COO]- 287.028831 189.6
[M+Na-2H]- 248.989646 148.0
[M]+ 228.01443142 162.2
[M]- 228.01552858 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe