CID 27838

Brn 2822200

Structural Information

Molecular Formula
C16H12F3NO4
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)OCC(=O)O
InChI
InChI=1S/C16H12F3NO4/c17-16(18,19)10-4-3-5-11(8-10)20-15(23)12-6-1-2-7-13(12)24-9-14(21)22/h1-8H,9H2,(H,20,23)(H,21,22)
InChIKey
GJOGJRFWQUSXMT-UHFFFAOYSA-N
Compound name
2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.07184 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.079116 172.3
[M+Na]+ 362.061058 178.9
[M-H]- 338.064564 173.8
[M+NH4]+ 357.105663 184.3
[M+K]+ 378.034998 175.1
[M+H-H2O]+ 322.069100 162.0
[M+HCOO]- 384.070041 189.9
[M+CH3COO]- 398.085691 208.4
[M+Na-2H]- 360.046506 174.6
[M]+ 339.07129142 169.3
[M]- 339.07238858 169.3
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.