CID 165746618

1849788-75-5

Structural Information

Molecular Formula
C10H15F4NO4
SMILES
CC(C)(C)OC(=O)NC(CC(C(F)F)(F)F)C(=O)O
InChI
InChI=1S/C10H15F4NO4/c1-9(2,3)19-8(18)15-5(6(16)17)4-10(13,14)7(11)12/h5,7H,4H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
ZHKNWWYXBXCWKN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetrafluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10100 158.3
[M+Na]+ 312.08294 163.4
[M-H]- 288.08644 151.8
[M+NH4]+ 307.12754 172.6
[M+K]+ 328.05688 163.3
[M+H-H2O]+ 272.09098 150.4
[M+HCOO]- 334.09192 170.5
[M+CH3COO]- 348.10757 201.0
[M+Na-2H]- 310.06839 158.0
[M]+ 289.09317 153.8
[M]- 289.09427 153.8
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.