CID 7275269

(((2,4,6-trichlorophenoxy)acetyl)amino)acetic acid hydrate

Structural Information

Molecular Formula
C10H8Cl3NO4
SMILES
C1=C(C=C(C(=C1Cl)OCC(=O)NCC(=O)O)Cl)Cl
InChI
InChI=1S/C10H8Cl3NO4/c11-5-1-6(12)10(7(13)2-5)18-4-8(15)14-3-9(16)17/h1-2H,3-4H2,(H,14,15)(H,16,17)
InChIKey
YDYWCJCURSHNDZ-UHFFFAOYSA-N
Compound name
2-[[2-(2,4,6-trichlorophenoxy)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.9519 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.95918 156.9
[M+Na]+ 333.94112 166.3
[M-H]- 309.94462 158.4
[M+NH4]+ 328.98572 172.5
[M+K]+ 349.91506 161.1
[M+H-H2O]+ 293.94916 154.3
[M+HCOO]- 355.95010 165.3
[M+CH3COO]- 369.96575 201.3
[M+Na-2H]- 331.92657 158.2
[M]+ 310.95135 162.2
[M]- 310.95245 162.2
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

No patent data available for this compound.