CID 3068006

Brn 6075199

Structural Information

Molecular Formula
C18H18F3NO5
SMILES
C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC(=C(C=C2)O)C(F)(F)F
InChI
InChI=1S/C18H18F3NO5/c19-18(20,21)14-11-12(5-6-16(14)24)22-15-4-2-1-3-13(15)17(25)27-10-9-26-8-7-23/h1-6,11,22-24H,7-10H2
InChIKey
NVFSLOJEQRYMFK-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl 2-[4-hydroxy-3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1137 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12098 185.4
[M+Na]+ 408.10292 191.2
[M-H]- 384.10642 185.3
[M+NH4]+ 403.14752 195.1
[M+K]+ 424.07686 187.1
[M+H-H2O]+ 368.11096 174.6
[M+HCOO]- 430.11190 201.7
[M+CH3COO]- 444.12755 215.4
[M+Na-2H]- 406.08837 186.8
[M]+ 385.11315 184.3
[M]- 385.11425 184.3
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.