CID 167714838

2-bromo-6-iodo-4-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H3BrF3IO2
SMILES
C1=C(C=C(C(=C1Br)O)I)OC(F)(F)F
InChI
InChI=1S/C7H3BrF3IO2/c8-4-1-3(14-7(9,10)11)2-5(12)6(4)13/h1-2,13H
InChIKey
LVPFXSKIFBCMMB-UHFFFAOYSA-N
Compound name
2-bromo-6-iodo-4-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.83133 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.83861 157.4
[M+Na]+ 404.82055 164.0
[M-H]- 380.82405 153.0
[M+NH4]+ 399.86515 172.3
[M+K]+ 420.79449 158.3
[M+H-H2O]+ 364.82859 152.1
[M+HCOO]- 426.82953 169.5
[M+CH3COO]- 440.84518 198.6
[M+Na-2H]- 402.80600 151.6
[M]+ 381.83078 169.7
[M]- 381.83188 169.7
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.