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]+ 318.078376 165.0
[M+Na]+ 340.060318 173.6
[M-H]- 316.063824 167.6
[M+NH4]+ 335.104923 180.9
[M+K]+ 356.034258 174.5
[M+H-H2O]+ 300.068360 159.5
[M+HCOO]- 362.069301 180.9
[M+CH3COO]- 376.084951 203.9
[M+Na-2H]- 338.045766 170.2
[M]+ 317.07055142 167.8
[M]- 317.07164858 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.