CID 93541

Novaluron

Structural Information

Molecular Formula
C17H9ClF8N2O4
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
InChI
InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
InChIKey
NJPPVKZQTLUDBO-UHFFFAOYSA-N
Compound name
N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

118
References

842769
Patents

492.0123 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.01958 197.0
[M+Na]+ 515.00152 205.9
[M-H]- 491.00502 194.1
[M+NH4]+ 510.04612 204.4
[M+K]+ 530.97546 200.4
[M+H-H2O]+ 475.00956 183.4
[M+HCOO]- 537.01050 204.6
[M+CH3COO]- 551.02615 238.4
[M+Na-2H]- 512.98697 195.5
[M]+ 492.01175 191.6
[M]- 492.01285 191.6
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.