CID 595293

(3,5-dichlorophenylurea)acetate

Structural Information

Molecular Formula
C9H8Cl2N2O3
SMILES
C1=C(C=C(C=C1Cl)Cl)NC(=O)NCC(=O)O
InChI
InChI=1S/C9H8Cl2N2O3/c10-5-1-6(11)3-7(2-5)13-9(16)12-4-8(14)15/h1-3H,4H2,(H,14,15)(H2,12,13,16)
InChIKey
LUTUCNIKEYNGLK-UHFFFAOYSA-N
Compound name
2-[(3,5-dichlorophenyl)carbamoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

261.9912 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99848 151.4
[M+Na]+ 284.98042 159.7
[M-H]- 260.98392 153.7
[M+NH4]+ 280.02502 168.3
[M+K]+ 300.95436 154.8
[M+H-H2O]+ 244.98846 147.5
[M+HCOO]- 306.98940 166.2
[M+CH3COO]- 321.00505 194.3
[M+Na-2H]- 282.96587 154.7
[M]+ 261.99065 153.5
[M]- 261.99175 153.5
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