CID 165940474

2-bromo-5-(4-tert-butylphenoxy)-1,3-difluorobenzene

Structural Information

Molecular Formula
C16H15BrF2O
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2=CC(=C(C(=C2)F)Br)F
InChI
InChI=1S/C16H15BrF2O/c1-16(2,3)10-4-6-11(7-5-10)20-12-8-13(18)15(17)14(19)9-12/h4-9H,1-3H3
InChIKey
PSDVLSWKHDUSKG-UHFFFAOYSA-N
Compound name
2-bromo-5-(4-tert-butylphenoxy)-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.02744 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03472 172.0
[M+Na]+ 363.01666 184.7
[M-H]- 339.02016 179.3
[M+NH4]+ 358.06126 190.1
[M+K]+ 378.99060 172.3
[M+H-H2O]+ 323.02470 169.8
[M+HCOO]- 385.02564 189.7
[M+CH3COO]- 399.04129 208.5
[M+Na-2H]- 361.00211 176.1
[M]+ 340.02689 190.5
[M]- 340.02799 190.5
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

No patent data available for this compound.