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

11
Patents

520.0331 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.04038 174.9
[M+Na]+ 543.02232 183.0
[M-H]- 519.02582 180.1
[M+NH4]+ 538.06692 184.8
[M+K]+ 558.99626 189.3
[M+H-H2O]+ 503.03036 163.8
[M+HCOO]- 565.03130 199.8
[M+CH3COO]- 579.04695 241.2
[M+Na-2H]- 541.00777 185.4
[M]+ 520.03255 180.3
[M]- 520.03365 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