CID 131277785

4-bromo-2-hydroxy-6-(trifluoromethyl)benzonitrile

Structural Information

Molecular Formula
C8H3BrF3NO
SMILES
C1=C(C=C(C(=C1C(F)(F)F)C#N)O)Br
InChI
InChI=1S/C8H3BrF3NO/c9-4-1-6(8(10,11)12)5(3-13)7(14)2-4/h1-2,14H
InChIKey
NOITXNQHHNIFSG-UHFFFAOYSA-N
Compound name
4-bromo-2-hydroxy-6-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.935 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.94228 143.4
[M+Na]+ 287.92422 158.3
[M-H]- 263.92772 144.1
[M+NH4]+ 282.96882 161.3
[M+K]+ 303.89816 146.2
[M+H-H2O]+ 247.93226 135.3
[M+HCOO]- 309.93320 159.3
[M+CH3COO]- 323.94885 201.3
[M+Na-2H]- 285.90967 148.7
[M]+ 264.93445 151.6
[M]- 264.93555 151.6
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.