CID 58143

100991-90-0

Structural Information

Molecular Formula
C19H14Cl2F7NO3
SMILES
CC(C(C1=CC=C(C=C1)F)O)C(C(F)(F)F)(C(F)(F)F)OC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C19H14Cl2F7NO3/c1-9(15(30)10-2-4-11(22)5-3-10)17(18(23,24)25,19(26,27)28)32-16(31)29-12-6-7-13(20)14(21)8-12/h2-9,15,30H,1H3,(H,29,31)
InChIKey
DYNXBYHYGGWRKH-UHFFFAOYSA-N
Compound name
[1,1,1-trifluoro-4-(4-fluorophenyl)-4-hydroxy-3-methyl-2-(trifluoromethyl)butan-2-yl] N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.0239 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.03118 202.3
[M+Na]+ 530.01312 204.9
[M+NH4]+ 525.05772 202.0
[M+K]+ 545.98706 202.1
[M-H]- 506.01662 195.4
[M+Na-2H]- 527.99857 201.3
[M]+ 507.02335 200.5
[M]- 507.02445 200.5
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.