CID 3022619

2-chloro-1-(3-chloro-4-hydroxyphenyl)-2-oxoethanaminium chloride

Structural Information

Molecular Formula
C8H7Cl2NO2
SMILES
C1=CC(=C(C=C1C(C(=O)Cl)N)Cl)O
InChI
InChI=1S/C8H7Cl2NO2/c9-5-3-4(1-2-6(5)12)7(11)8(10)13/h1-3,7,12H,11H2
InChIKey
NBJJFYHAPINUIU-UHFFFAOYSA-N
Compound name
2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.98538 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.992656 140.3
[M+Na]+ 241.974598 149.6
[M-H]- 217.978104 142.2
[M+NH4]+ 237.019203 159.1
[M+K]+ 257.948538 144.6
[M+H-H2O]+ 201.982640 137.2
[M+HCOO]- 263.983581 153.3
[M+CH3COO]- 277.999231 185.8
[M+Na-2H]- 239.960046 142.8
[M]+ 218.98483142 141.2
[M]- 218.98592858 141.2
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