CID 57370039

892154-46-0

Structural Information

Molecular Formula
C18H15F9N2O3
SMILES
CC(C)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)ON=C(C#N)C1=CC=CC=C1
InChI
InChI=1S/C18H15F9N2O3/c1-14(2,8-9-15(19,20)16(21,22)17(23,24)18(25,26)27)31-13(30)32-29-12(10-28)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKey
UVLBAEYPKCVCLV-UHFFFAOYSA-N
Compound name
[[cyano(phenyl)methylidene]amino] (5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.0939 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.10118 197.1
[M+Na]+ 501.08312 203.2
[M-H]- 477.08662 190.0
[M+NH4]+ 496.12772 203.2
[M+K]+ 517.05706 201.3
[M+H-H2O]+ 461.09116 177.7
[M+HCOO]- 523.09210 200.9
[M+CH3COO]- 537.10775 242.9
[M+Na-2H]- 499.06857 198.5
[M]+ 478.09335 183.1
[M]- 478.09445 183.1
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.