CID 14369844

Ethyl 2-[(diphenylmethylidene)amino]-5,5,6,6,7,7,8,8,8-nonafluorooctanoate

Structural Information

Molecular Formula
C23H20F9NO2
SMILES
CCOC(=O)C(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C23H20F9NO2/c1-2-35-19(34)17(13-14-20(24,25)21(26,27)22(28,29)23(30,31)32)33-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKey
IGRQPMQIIAQLAE-UHFFFAOYSA-N
Compound name
ethyl 2-(benzhydrylideneamino)-5,5,6,6,7,7,8,8,8-nonafluorooctanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

513.135 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.14228 213.1
[M+Na]+ 536.12422 217.5
[M-H]- 512.12772 208.4
[M+NH4]+ 531.16882 218.6
[M+K]+ 552.09816 212.3
[M+H-H2O]+ 496.13226 197.2
[M+HCOO]- 558.13320 218.5
[M+CH3COO]- 572.14885 244.4
[M+Na-2H]- 534.10967 212.4
[M]+ 513.13445 202.4
[M]- 513.13555 202.4
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.