CID 162090

50594-44-0

Structural Information

Molecular Formula
C15H9ClF3NO5
SMILES
CC(=O)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H9ClF3NO5/c1-8(21)24-14-7-10(3-4-12(14)20(22)23)25-13-5-2-9(6-11(13)16)15(17,18)19/h2-7H,1H3
InChIKey
PSWSPFSDVZVVDC-UHFFFAOYSA-N
Compound name
[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

375.01215 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.01943 170.5
[M+Na]+ 398.00137 181.7
[M+NH4]+ 393.04597 174.8
[M+K]+ 413.97531 179.4
[M-H]- 374.00487 169.7
[M+Na-2H]- 395.98682 175.5
[M]+ 375.01160 171.8
[M]- 375.01270 171.8
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

patents stripe