CID 61099788

1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethan-1-ol

Structural Information

Molecular Formula
C9H8BrF3O2
SMILES
COC1=C(C=C(C=C1)C(C(F)(F)F)O)Br
InChI
InChI=1S/C9H8BrF3O2/c1-15-7-3-2-5(4-6(7)10)8(14)9(11,12)13/h2-4,8,14H,1H3
InChIKey
JKZPYJJPAHZBFZ-UHFFFAOYSA-N
Compound name
1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.96597 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.973246 154.0
[M+Na]+ 306.955188 165.9
[M-H]- 282.958694 155.6
[M+NH4]+ 301.999793 173.1
[M+K]+ 322.929128 154.5
[M+H-H2O]+ 266.963230 152.1
[M+HCOO]- 328.964171 169.3
[M+CH3COO]- 342.979821 193.6
[M+Na-2H]- 304.940636 158.4
[M]+ 283.96542142 169.3
[M]- 283.96651858 169.3
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.