CID 14172634

2,2,3,3,4,4,5,5,6,6-decafluoro-6-[(1,2,2-trifluorovinyl)oxy]hexanenitrile

Structural Information

Molecular Formula
C8F13NO
SMILES
C(#N)C(C(C(C(C(OC(=C(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F13NO/c9-2(10)3(11)23-8(20,21)7(18,19)6(16,17)5(14,15)4(12,13)1-22
InChIKey
QCWQPRUOTXVNSB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

52
Patents

372.97723 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.98451 155.0
[M+Na]+ 395.96645 163.3
[M-H]- 371.96995 141.8
[M+NH4]+ 391.01105 164.2
[M+K]+ 411.94039 162.5
[M+H-H2O]+ 355.97449 136.1
[M+HCOO]- 417.97543 154.6
[M+CH3COO]- 431.99108 224.5
[M+Na-2H]- 393.95190 155.9
[M]+ 372.97668 132.1
[M]- 372.97778 132.1
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