CID 12966961

4-bromo-2-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4BrNO
SMILES
C1=CC(=C(C=C1Br)O)C#N
InChI
InChI=1S/C7H4BrNO/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10H
InChIKey
PAHSHGVACWNGEY-UHFFFAOYSA-N
Compound name
4-bromo-2-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

471
Patents

196.94763 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.95491 132.6
[M+Na]+ 219.93685 137.1
[M+NH4]+ 214.98145 135.2
[M+K]+ 235.91079 134.0
[M-H]- 195.94035 127.2
[M+Na-2H]- 217.92230 134.8
[M]+ 196.94708 130.0
[M]- 196.94818 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe