CID 132472274

658085-43-9

Structural Information

Molecular Formula
C13H16FNO4
SMILES
CC1=CC(=C(C=C1C(=O)O)NC(=O)OC(C)(C)C)F
InChI
InChI=1S/C13H16FNO4/c1-7-5-9(14)10(6-8(7)11(16)17)15-12(18)19-13(2,3)4/h5-6H,1-4H3,(H,15,18)(H,16,17)
InChIKey
SGTSRFWTQFTHFU-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.10632 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11360 158.1
[M+Na]+ 292.09554 165.8
[M-H]- 268.09904 159.8
[M+NH4]+ 287.14014 174.2
[M+K]+ 308.06948 164.3
[M+H-H2O]+ 252.10358 151.7
[M+HCOO]- 314.10452 177.6
[M+CH3COO]- 328.12017 198.7
[M+Na-2H]- 290.08099 160.0
[M]+ 269.10577 159.3
[M]- 269.10687 159.3
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.