CID 155973323

2648940-99-0

Structural Information

Molecular Formula
C16H23F2NO4
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CC3(C2)CC(C3)(F)F)C(=O)O
InChI
InChI=1S/C16H23F2NO4/c1-12(2,3)23-11(22)19-15(10(20)21)6-13(7-15)4-14(5-13)8-16(17,18)9-14/h4-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKey
IFYMRYFTAUNMFR-UHFFFAOYSA-N
Compound name
8,8-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]dispiro[3.1.36.14]decane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.15952 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16680 181.6
[M+Na]+ 354.14874 182.7
[M-H]- 330.15224 184.8
[M+NH4]+ 349.19334 182.8
[M+K]+ 370.12268 187.8
[M+H-H2O]+ 314.15678 168.5
[M+HCOO]- 376.15772 189.4
[M+CH3COO]- 390.17337 226.2
[M+Na-2H]- 352.13419 182.2
[M]+ 331.15897 199.9
[M]- 331.16007 199.9
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.