CID 7022290

2-bromo-5-ethoxy-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
CCOC1=C(C=C(C(=C1)C#N)Br)O
InChI
InChI=1S/C9H8BrNO2/c1-2-13-9-3-6(5-11)7(10)4-8(9)12/h3-4,12H,2H2,1H3
InChIKey
RDPOLCZTDSSEHY-UHFFFAOYSA-N
Compound name
2-bromo-5-ethoxy-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

240.97385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 138.6
[M+Na]+ 263.963068 152.9
[M-H]- 239.966574 142.6
[M+NH4]+ 259.007673 157.5
[M+K]+ 279.937008 141.5
[M+H-H2O]+ 223.971110 132.2
[M+HCOO]- 285.972051 158.4
[M+CH3COO]- 299.987701 198.9
[M+Na-2H]- 261.948516 144.9
[M]+ 240.97330142 152.1
[M]- 240.97439858 152.1
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