CID 162341278

2408970-21-6

Structural Information

Molecular Formula
C11H15F2NO4
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2(F)F)C(=O)O
InChI
InChI=1S/C11H15F2NO4/c1-8(2,3)18-7(17)14-10-4-9(5-10,6(15)16)11(10,12)13/h4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
GLXYDHGQIOXCFG-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09692 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10420 191.2
[M+Na]+ 286.08614 193.3
[M-H]- 262.08964 191.0
[M+NH4]+ 281.13074 194.7
[M+K]+ 302.06008 199.0
[M+H-H2O]+ 246.09418 177.9
[M+HCOO]- 308.09512 198.4
[M+CH3COO]- 322.11077 219.4
[M+Na-2H]- 284.07159 193.4
[M]+ 263.09637 214.3
[M]- 263.09747 214.3
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.