CID 51001696

Dapaconazole

Structural Information

Molecular Formula
C19H15Cl2F3N2O
SMILES
C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C19H15Cl2F3N2O/c20-15-5-6-16(17(21)9-15)18(10-26-8-7-25-12-26)27-11-13-1-3-14(4-2-13)19(22,23)24/h1-9,12,18H,10-11H2
InChIKey
FUAHXHWSMYFWGE-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

79
Patents

414.05136 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.05864 189.8
[M+Na]+ 437.04058 199.4
[M-H]- 413.04408 192.4
[M+NH4]+ 432.08518 200.5
[M+K]+ 453.01452 190.9
[M+H-H2O]+ 397.04862 177.6
[M+HCOO]- 459.04956 196.4
[M+CH3COO]- 473.06521 219.4
[M+Na-2H]- 435.02603 189.3
[M]+ 414.05081 191.7
[M]- 414.05191 191.7
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