CID 91642

Acifluorfen-methyl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1127
Patents

375.01215 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.01943 175.2
[M+Na]+ 398.00137 184.1
[M-H]- 374.00487 178.6
[M+NH4]+ 393.04597 187.4
[M+K]+ 413.97531 175.9
[M+H-H2O]+ 358.00941 170.7
[M+HCOO]- 420.01035 190.8
[M+CH3COO]- 434.02600 207.8
[M+Na-2H]- 395.98682 179.3
[M]+ 375.01160 176.3
[M]- 375.01270 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe