CID 165738813

2803856-83-7

Structural Information

Molecular Formula
C13H13F2NO6
SMILES
CC(C)(C)OC(=O)NC1=CC(=C2C(=C1)OC(O2)(F)F)C(=O)O
InChI
InChI=1S/C13H13F2NO6/c1-12(2,3)22-11(19)16-6-4-7(10(17)18)9-8(5-6)20-13(14,15)21-9/h4-5H,1-3H3,(H,16,19)(H,17,18)
InChIKey
ZPVMAWCZAKTSRX-UHFFFAOYSA-N
Compound name
2,2-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzodioxole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0711 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07838 165.0
[M+Na]+ 340.06032 173.6
[M-H]- 316.06382 167.6
[M+NH4]+ 335.10492 180.9
[M+K]+ 356.03426 174.5
[M+H-H2O]+ 300.06836 159.5
[M+HCOO]- 362.06930 180.9
[M+CH3COO]- 376.08495 203.9
[M+Na-2H]- 338.04577 170.2
[M]+ 317.07055 167.8
[M]- 317.07165 167.8
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.