CID 81436663

1528149-21-4

Structural Information

Molecular Formula
C13H15BrFNO4
SMILES
CC(C)(C)OC(=O)NC(C1=CC(=C(C=C1)Br)F)C(=O)O
InChI
InChI=1S/C13H15BrFNO4/c1-13(2,3)20-12(19)16-10(11(17)18)7-4-5-8(14)9(15)6-7/h4-6,10H,1-3H3,(H,16,19)(H,17,18)
InChIKey
ZOBKNUZQRBZEHT-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.01685 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.02413 169.0
[M+Na]+ 370.00607 168.0
[M+NH4]+ 365.05067 170.0
[M+K]+ 385.98001 171.1
[M-H]- 346.00957 165.5
[M+Na-2H]- 367.99152 168.3
[M]+ 347.01630 166.3
[M]- 347.01740 166.3
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.