CID 22395164

Glycidyl(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ether

Structural Information

Molecular Formula
C13H9F17O2
SMILES
C1C(O1)COCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H9F17O2/c14-6(15,1-2-31-3-5-4-32-5)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h5H,1-4H2
InChIKey
JTULMVYZUJZDKK-UHFFFAOYSA-N
Compound name
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

520.0331 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.040376 174.9
[M+Na]+ 543.022318 183.0
[M-H]- 519.025824 180.1
[M+NH4]+ 538.066923 184.8
[M+K]+ 558.996258 189.3
[M+H-H2O]+ 503.030360 163.8
[M+HCOO]- 565.031301 199.8
[M+CH3COO]- 579.046951 241.2
[M+Na-2H]- 541.007766 185.4
[M]+ 520.03255142 180.3
[M]- 520.03364858 180.3
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