CID 2772347

2-amino-2-(2,4-dichlorophenyl)acetic acid

Structural Information

Molecular Formula
C8H7Cl2NO2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(C(=O)O)N
InChI
InChI=1S/C8H7Cl2NO2/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChIKey
YXUSXKBQYIPZDJ-UHFFFAOYSA-N
Compound name
2-amino-2-(2,4-dichlorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

218.98538 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.99266 140.3
[M+Na]+ 241.97460 149.6
[M-H]- 217.97810 142.2
[M+NH4]+ 237.01920 159.1
[M+K]+ 257.94854 144.6
[M+H-H2O]+ 201.98264 137.2
[M+HCOO]- 263.98358 153.3
[M+CH3COO]- 277.99923 185.8
[M+Na-2H]- 239.96005 142.8
[M]+ 218.98483 141.2
[M]- 218.98593 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