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

430260
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

literature stripe

Patent stripe

patents stripe