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)pyridin-2-yl]oxyphenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

68
References

43287
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

literature stripe

Patent stripe

patents stripe