CID 3067137

80843-82-9

Structural Information

Molecular Formula
C24H23BrF2O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(F)F
InChI
InChI=1S/C24H23BrF2O3/c1-24(2,18-6-10-21(11-7-18)30-23(26)27)16-28-15-17-4-3-5-22(14-17)29-20-12-8-19(25)9-13-20/h3-14,23H,15-16H2,1-2H3
InChIKey
DGWRUCQPODLNOO-UHFFFAOYSA-N
Compound name
1-bromo-4-[3-[[2-[4-(difluoromethoxy)phenyl]-2-methylpropoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

476.07986 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.08714 211.1
[M+Na]+ 499.06908 219.3
[M-H]- 475.07258 219.6
[M+NH4]+ 494.11368 222.3
[M+K]+ 515.04302 207.2
[M+H-H2O]+ 459.07712 206.0
[M+HCOO]- 521.07806 226.4
[M+CH3COO]- 535.09371 230.6
[M+Na-2H]- 497.05453 212.4
[M]+ 476.07931 231.0
[M]- 476.08041 231.0
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