CID 12568334

60308-66-9

Structural Information

Molecular Formula
C6F11NO
SMILES
C(#N)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6F11NO/c7-2(1-18,4(10,11)12)19-6(16,17)3(8,9)5(13,14)15
InChIKey
JCSALILNGARMET-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

310.98044 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.98772 145.5
[M+Na]+ 333.96966 154.8
[M-H]- 309.97316 134.4
[M+NH4]+ 329.01426 157.5
[M+K]+ 349.94360 154.6
[M+H-H2O]+ 293.97770 128.0
[M+HCOO]- 355.97864 148.8
[M+CH3COO]- 369.99429 213.5
[M+Na-2H]- 331.95511 150.0
[M]+ 310.97989 126.2
[M]- 310.98099 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe