CID 145913200

2378501-56-3

Structural Information

Molecular Formula
C11H13FINO2
SMILES
CCOC(=O)C(CC1=C(C=CC(=C1)I)F)N
InChI
InChI=1S/C11H13FINO2/c1-2-16-11(15)10(14)6-7-5-8(13)3-4-9(7)12/h3-5,10H,2,6,14H2,1H3
InChIKey
COONRUZHXJXALQ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(2-fluoro-5-iodophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.9975 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.00478 163.7
[M+Na]+ 359.98672 163.6
[M-H]- 335.99022 158.6
[M+NH4]+ 355.03132 176.4
[M+K]+ 375.96066 167.3
[M+H-H2O]+ 319.99476 152.7
[M+HCOO]- 381.99570 180.0
[M+CH3COO]- 396.01135 201.4
[M+Na-2H]- 357.97217 152.6
[M]+ 336.99695 160.4
[M]- 336.99805 160.4
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.