CID 69928906

1363380-83-9

Structural Information

Molecular Formula
C10H15F2NO4
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C10H15F2NO4/c1-8(2,3)17-7(16)13-9(6(14)15)4-10(11,12)5-9/h4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
KEYBLBUGXCHLBX-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

251.09691 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10419 158.0
[M+Na]+ 274.08613 163.2
[M-H]- 250.08963 157.9
[M+NH4]+ 269.13073 171.4
[M+K]+ 290.06007 165.8
[M+H-H2O]+ 234.09417 148.7
[M+HCOO]- 296.09511 173.6
[M+CH3COO]- 310.11076 194.8
[M+Na-2H]- 272.07158 161.1
[M]+ 251.09636 164.7
[M]- 251.09746 164.7
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

patents stripe