CID 112296

2,2,3,3,5,6,6,8,9,9-decafluoro-5-(trifluoromethyl)-4,7-dioxa-8-nonenamide

Structural Information

Molecular Formula
C8H2F13NO3
SMILES
C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(C(=O)N)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C8H2F13NO3/c9-1(10)2(11)24-8(20,21)5(14,6(15,16)17)25-7(18,19)4(12,13)3(22)23/h(H2,22,23)
InChIKey
RSZYMGFUGQKOOL-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

406.9827 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.98998 169.3
[M+Na]+ 429.97192 159.9
[M-H]- 405.97542 158.7
[M+NH4]+ 425.01652 159.8
[M+K]+ 445.94586 175.2
[M+H-H2O]+ 389.97996 155.5
[M+HCOO]- 451.98090 164.1
[M+CH3COO]- 465.99655 221.9
[M+Na-2H]- 427.95737 169.0
[M]+ 406.98215 145.0
[M]- 406.98325 145.0
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

patents stripe