CID 448979

Haloxyfop-p

Structural Information

Molecular Formula
C15H11ClF3NO4
SMILES
C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1
InChIKey
GOCUAJYOYBLQRH-MRVPVSSYSA-N
Compound name
(2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

69
References

48257
Patents

361.03287 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.04015 172.2
[M+Na]+ 384.02209 181.4
[M-H]- 360.02559 172.9
[M+NH4]+ 379.06669 183.6
[M+K]+ 399.99603 176.6
[M+H-H2O]+ 344.03013 162.4
[M+HCOO]- 406.03107 183.2
[M+CH3COO]- 420.04672 209.3
[M+Na-2H]- 382.00754 173.9
[M]+ 361.03232 173.7
[M]- 361.03342 173.7
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.