CID 66453921

Ethyl 2-(4-carbamoylphenoxy)-2,2-difluoroacetate

Structural Information

Molecular Formula
C11H11F2NO4
SMILES
CCOC(=O)C(OC1=CC=C(C=C1)C(=O)N)(F)F
InChI
InChI=1S/C11H11F2NO4/c1-2-17-10(16)11(12,13)18-8-5-3-7(4-6-8)9(14)15/h3-6H,2H2,1H3,(H2,14,15)
InChIKey
UCRCUDLHADSURO-UHFFFAOYSA-N
Compound name
ethyl 2-(4-carbamoylphenoxy)-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0656 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07288 152.6
[M+Na]+ 282.05482 159.6
[M-H]- 258.05832 153.2
[M+NH4]+ 277.09942 168.6
[M+K]+ 298.02876 158.3
[M+H-H2O]+ 242.06286 144.6
[M+HCOO]- 304.06380 172.5
[M+CH3COO]- 318.07945 196.1
[M+Na-2H]- 280.04027 155.6
[M]+ 259.06505 152.0
[M]- 259.06615 152.0
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.