CID 89470199

2-(2-aminoethoxy)-5-bromobenzonitrile hydrochloride

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
C1=CC(=C(C=C1Br)C#N)OCCN
InChI
InChI=1S/C9H9BrN2O/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5H,3-4,11H2
InChIKey
VQMKWMNRQHPBOZ-UHFFFAOYSA-N
Compound name
2-(2-aminoethoxy)-5-bromobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

239.98982 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.997096 141.0
[M+Na]+ 262.979038 154.1
[M-H]- 238.982544 145.1
[M+NH4]+ 258.023643 159.7
[M+K]+ 278.952978 142.4
[M+H-H2O]+ 222.987080 133.6
[M+HCOO]- 284.988021 162.0
[M+CH3COO]- 299.003671 201.9
[M+Na-2H]- 260.964486 147.4
[M]+ 239.98927142 152.9
[M]- 239.99036858 152.9
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