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

249
Patents

196.94763 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.95491 129.1
[M+Na]+ 219.93685 143.7
[M-H]- 195.94035 133.2
[M+NH4]+ 214.98145 149.5
[M+K]+ 235.91079 132.1
[M+H-H2O]+ 179.94489 123.3
[M+HCOO]- 241.94583 149.4
[M+CH3COO]- 255.96148 191.1
[M+Na-2H]- 217.92230 137.0
[M]+ 196.94708 140.6
[M]- 196.94818 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