CID 92395

Fluoroglycofen

Structural Information

Molecular Formula
C16H9ClF3NO7
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)O
InChI
InChI=1S/C16H9ClF3NO7/c17-11-5-8(16(18,19)20)1-4-13(11)28-9-2-3-12(21(25)26)10(6-9)15(24)27-7-14(22)23/h1-6H,7H2,(H,22,23)
InChIKey
DHAHEVIQIYRFRG-UHFFFAOYSA-N
Compound name
2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8683
Patents

419.00195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.00923 181.8
[M+Na]+ 441.99117 189.3
[M-H]- 417.99467 183.8
[M+NH4]+ 437.03577 191.0
[M+K]+ 457.96511 181.5
[M+H-H2O]+ 401.99921 177.3
[M+HCOO]- 464.00015 195.2
[M+CH3COO]- 478.01580 212.3
[M+Na-2H]- 439.97662 184.8
[M]+ 419.00140 183.0
[M]- 419.00250 183.0
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