CID 53395661

3-bromo-4-fluoro-2-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H3BrFNO
SMILES
C1=CC(=C(C(=C1C#N)O)Br)F
InChI
InChI=1S/C7H3BrFNO/c8-6-5(9)2-1-4(3-10)7(6)11/h1-2,11H
InChIKey
YURVCKKUYLNAFP-UHFFFAOYSA-N
Compound name
3-bromo-4-fluoro-2-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

214.9382 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.945476 130.5
[M+Na]+ 237.927418 145.7
[M-H]- 213.930924 133.7
[M+NH4]+ 232.972023 150.4
[M+K]+ 253.901358 133.9
[M+H-H2O]+ 197.935460 124.0
[M+HCOO]- 259.936401 149.9
[M+CH3COO]- 273.952051 194.4
[M+Na-2H]- 235.912866 137.3
[M]+ 214.93765142 141.2
[M]- 214.93874858 141.2
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

patents stripe