CID 12468680

3-bromo-2-hydroxybenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
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

No literature data available for this compound.

Patent stripe

patents stripe