CID 165950696

1-bromo-4-(4-tert-butylphenoxy)-2-fluorobenzene

Structural Information

Molecular Formula
C16H16BrFO
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C16H16BrFO/c1-16(2,3)11-4-6-12(7-5-11)19-13-8-9-14(17)15(18)10-13/h4-10H,1-3H3
InChIKey
YDNAIQRDKHUPSN-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-tert-butylphenoxy)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.03687 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04415 168.2
[M+Na]+ 345.02609 180.0
[M-H]- 321.02959 176.5
[M+NH4]+ 340.07069 186.8
[M+K]+ 361.00003 168.0
[M+H-H2O]+ 305.03413 166.8
[M+HCOO]- 367.03507 187.0
[M+CH3COO]- 381.05072 204.8
[M+Na-2H]- 343.01154 173.6
[M]+ 322.03632 187.4
[M]- 322.03742 187.4
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.