CID 215313

35422-42-5

Structural Information

Molecular Formula
C16H11ClF3NO4
SMILES
C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)OCC(=O)O)C(F)(F)F
InChI
InChI=1S/C16H11ClF3NO4/c17-10-4-5-13(25-8-14(22)23)12(7-10)15(24)21-11-3-1-2-9(6-11)16(18,19)20/h1-7H,8H2,(H,21,24)(H,22,23)
InChIKey
HRFHLWCIWWSCDA-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.03287 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04015 176.5
[M+Na]+ 396.02209 184.9
[M-H]- 372.02559 178.4
[M+NH4]+ 391.06669 188.4
[M+K]+ 411.99603 179.4
[M+H-H2O]+ 356.03013 167.4
[M+HCOO]- 418.03107 189.8
[M+CH3COO]- 432.04672 213.3
[M+Na-2H]- 394.00754 177.9
[M]+ 373.03232 176.5
[M]- 373.03342 176.5
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.