CID 2776262

125370-60-7

Structural Information

Molecular Formula
C12H8F16O2
SMILES
C1C(O1)COCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F16O2/c13-5(14)7(17,18)9(21,22)11(25,26)12(27,28)10(23,24)8(19,20)6(15,16)3-29-1-4-2-30-4/h4-5H,1-3H2
InChIKey
AVKVPTNDWAGIMH-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

131
Patents

488.0269 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.03418 171.9
[M+Na]+ 511.01612 180.1
[M-H]- 487.01962 175.4
[M+NH4]+ 506.06072 180.8
[M+K]+ 526.99006 176.8
[M+H-H2O]+ 471.02416 155.3
[M+HCOO]- 533.02510 193.7
[M+CH3COO]- 547.04075 237.1
[M+Na-2H]- 509.00157 175.5
[M]+ 488.02635 175.6
[M]- 488.02745 175.6
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