CID 96999

N-(3,4-dichlorobenzylidene)ethanolamine

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
C1=CC(=C(C=C1C=NCCO)Cl)Cl
InChI
InChI=1S/C9H9Cl2NO/c10-8-2-1-7(5-9(8)11)6-12-3-4-13/h1-2,5-6,13H,3-4H2
InChIKey
BLJGXQPGHLLDRO-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methylideneamino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

217.00612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.013396 142.6
[M+Na]+ 239.995338 152.5
[M-H]- 215.998844 145.8
[M+NH4]+ 235.039943 162.6
[M+K]+ 255.969278 146.9
[M+H-H2O]+ 200.003380 138.6
[M+HCOO]- 262.004321 158.8
[M+CH3COO]- 276.019971 187.4
[M+Na-2H]- 237.980786 148.3
[M]+ 217.00557142 146.1
[M]- 217.00666858 146.1
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

No patent data available for this compound.