CID 154878846

2470437-65-9

Structural Information

Molecular Formula
C14H17F2NO5
SMILES
CC(C)(C)OC(=O)NCC(OC1=CC=C(C=C1)C(=O)O)(F)F
InChI
InChI=1S/C14H17F2NO5/c1-13(2,3)22-12(20)17-8-14(15,16)21-10-6-4-9(5-7-10)11(18)19/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
BZOCOMQLDQENQM-UHFFFAOYSA-N
Compound name
4-[1,1-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10748 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11476 168.3
[M+Na]+ 340.09670 173.9
[M-H]- 316.10020 167.8
[M+NH4]+ 335.14130 181.6
[M+K]+ 356.07064 172.8
[M+H-H2O]+ 300.10474 160.5
[M+HCOO]- 362.10568 184.9
[M+CH3COO]- 376.12133 204.5
[M+Na-2H]- 338.08215 171.6
[M]+ 317.10693 168.6
[M]- 317.10803 168.6
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.