CID 19810900

3-bromo-5-fluoro-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H3BrFNO
SMILES
C1=C(C=C(C(=C1F)O)Br)C#N
InChI
InChI=1S/C7H3BrFNO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey
NFKJFNKASNIOKU-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

214.9382 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.94548 130.5
[M+Na]+ 237.92742 145.7
[M-H]- 213.93092 133.7
[M+NH4]+ 232.97202 150.4
[M+K]+ 253.90136 133.9
[M+H-H2O]+ 197.93546 124.0
[M+HCOO]- 259.93640 149.9
[M+CH3COO]- 273.95205 194.4
[M+Na-2H]- 235.91287 137.3
[M]+ 214.93765 141.2
[M]- 214.93875 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