CID 13042251

2-bromo-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4BrNO
SMILES
C1=CC(=C(C=C1O)Br)C#N
InChI
InChI=1S/C7H4BrNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
InChIKey
CGPTZCZFFUYDCB-UHFFFAOYSA-N
Compound name
2-bromo-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

196.94763 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.954906 129.1
[M+Na]+ 219.936848 143.7
[M-H]- 195.940354 133.2
[M+NH4]+ 214.981453 149.5
[M+K]+ 235.910788 132.1
[M+H-H2O]+ 179.944890 123.3
[M+HCOO]- 241.945831 149.4
[M+CH3COO]- 255.961481 191.1
[M+Na-2H]- 217.922296 137.0
[M]+ 196.94708142 140.6
[M]- 196.94817858 140.6
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

patents stripe