CID 3073149

146824-79-5

Structural Information

Molecular Formula
C19H15F3N2O2
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OCC3=CC=CC=C3
InChI
InChI=1S/C19H15F3N2O2/c1-13-10-17(25)18(26-12-14-6-3-2-4-7-14)23-24(13)16-9-5-8-15(11-16)19(20,21)22/h2-11H,12H2,1H3
InChIKey
YCWMDSBHBGWSKQ-UHFFFAOYSA-N
Compound name
6-methyl-3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.10855 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11583 183.6
[M+Na]+ 383.09777 193.7
[M-H]- 359.10127 187.3
[M+NH4]+ 378.14237 193.3
[M+K]+ 399.07171 187.0
[M+H-H2O]+ 343.10581 170.2
[M+HCOO]- 405.10675 200.3
[M+CH3COO]- 419.12240 214.0
[M+Na-2H]- 381.08322 187.2
[M]+ 360.10800 182.4
[M]- 360.10910 182.4
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.