CID 146075381

2228502-72-3

Structural Information

Molecular Formula
C10H15F2NO4
SMILES
CC(C)(C)OC(=O)NCC1(CC1(F)F)C(=O)O
InChI
InChI=1S/C10H15F2NO4/c1-8(2,3)17-7(16)13-5-9(6(14)15)4-10(9,11)12/h4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
QNNWIKBFEOIESL-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.09691 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10419 148.2
[M+Na]+ 274.08613 157.2
[M-H]- 250.08963 149.4
[M+NH4]+ 269.13073 163.7
[M+K]+ 290.06007 156.2
[M+H-H2O]+ 234.09417 144.3
[M+HCOO]- 296.09511 165.5
[M+CH3COO]- 310.11076 194.9
[M+Na-2H]- 272.07158 153.4
[M]+ 251.09636 151.2
[M]- 251.09746 151.2
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