CID 39327

Oxyfluorfen

Structural Information

Molecular Formula
C15H11ClF3NO4
SMILES
CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3
InChIKey
OQMBBFQZGJFLBU-UHFFFAOYSA-N
Compound name
2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

105
References

35648
Patents

361.03287 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.040146 174.8
[M+Na]+ 384.022088 183.8
[M-H]- 360.025594 178.0
[M+NH4]+ 379.066693 187.6
[M+K]+ 399.996028 174.9
[M+H-H2O]+ 344.030130 170.1
[M+HCOO]- 406.031071 190.8
[M+CH3COO]- 420.046721 206.7
[M+Na-2H]- 382.007536 179.5
[M]+ 361.03232142 175.8
[M]- 361.03341858 175.8
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