CID 16218107

2-bromo-2',6'-diisopropoxy-1,1'-biphenyl

Structural Information

Molecular Formula
C18H21BrO2
SMILES
CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2Br
InChI
InChI=1S/C18H21BrO2/c1-12(2)20-16-10-7-11-17(21-13(3)4)18(16)14-8-5-6-9-15(14)19/h5-13H,1-4H3
InChIKey
SHUUMGHTDLOJAU-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-1,3-di(propan-2-yloxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

348.07248 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07976 175.7
[M+Na]+ 371.06170 185.3
[M-H]- 347.06520 184.6
[M+NH4]+ 366.10630 192.8
[M+K]+ 387.03564 174.4
[M+H-H2O]+ 331.06974 174.2
[M+HCOO]- 393.07068 194.5
[M+CH3COO]- 407.08633 211.6
[M+Na-2H]- 369.04715 177.8
[M]+ 348.07193 197.2
[M]- 348.07303 197.2
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