CID 72734664

Fluopimomide

Structural Information

Molecular Formula
C15H8ClF7N2O2
SMILES
COC1=C(C(=C(C(=C1F)F)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)F)F
InChI
InChI=1S/C15H8ClF7N2O2/c1-27-13-11(19)9(17)8(10(18)12(13)20)14(26)25-4-7-6(16)2-5(3-24-7)15(21,22)23/h2-3H,4H2,1H3,(H,25,26)
InChIKey
DNJKFZQFTZJKDK-UHFFFAOYSA-N
Compound name
N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1920
Patents

416.01627 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.02355 183.7
[M+Na]+ 439.00549 196.9
[M-H]- 415.00899 181.6
[M+NH4]+ 434.05009 194.3
[M+K]+ 454.97943 189.4
[M+H-H2O]+ 399.01353 170.6
[M+HCOO]- 461.01447 193.3
[M+CH3COO]- 475.03012 226.9
[M+Na-2H]- 436.99094 181.7
[M]+ 416.01572 180.7
[M]- 416.01682 180.7
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