CID 24844546

102206-52-0

Structural Information

Molecular Formula
C14H11Cl2F10NO2
SMILES
CC1=CC(=CC(=N1)C(CO)(C(F)(F)F)C(F)(F)Cl)C(CO)(C(F)(F)F)C(F)(F)Cl
InChI
InChI=1S/C14H11Cl2F10NO2/c1-6-2-7(9(4-28,11(15,17)18)13(21,22)23)3-8(27-6)10(5-29,12(16,19)20)14(24,25)26/h2-3,28-29H,4-5H2,1H3
InChIKey
UMERTVLIOYXKRM-UHFFFAOYSA-N
Compound name
2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methylpyridin-4-yl]-3,3,3-trifluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.0007 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.00798 203.7
[M+Na]+ 507.98992 203.8
[M+NH4]+ 503.03452 202.2
[M+K]+ 523.96386 201.5
[M-H]- 483.99342 196.3
[M+Na-2H]- 505.97537 200.3
[M]+ 485.00015 201.5
[M]- 485.00125 201.5
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.