CID 137964565

2228096-42-0

Structural Information

Molecular Formula
C11H13F2NO3
SMILES
COC(=O)C(C1=CC=C(C=C1)OCC(F)F)N
InChI
InChI=1S/C11H13F2NO3/c1-16-11(15)10(14)7-2-4-8(5-3-7)17-6-9(12)13/h2-5,9-10H,6,14H2,1H3
InChIKey
BRUVDIOGIMMWOJ-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08635 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09363 152.1
[M+Na]+ 268.07557 158.2
[M-H]- 244.07907 152.5
[M+NH4]+ 263.12017 168.7
[M+K]+ 284.04951 157.0
[M+H-H2O]+ 228.08361 143.7
[M+HCOO]- 290.08455 172.2
[M+CH3COO]- 304.10020 195.4
[M+Na-2H]- 266.06102 152.8
[M]+ 245.08580 150.7
[M]- 245.08690 150.7
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.