CID 533993

122193-68-4

Structural Information

Molecular Formula
C11H9F13O2
SMILES
C1C(O1)COCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H9F13O2/c12-6(13,1-2-25-3-5-4-26-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,1-4H2
InChIKey
DRSDQADBHIDJCU-UHFFFAOYSA-N
Compound name
2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

549
Patents

420.0395 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.04678 163.3
[M+Na]+ 443.02872 171.9
[M-H]- 419.03222 153.4
[M+NH4]+ 438.07332 167.3
[M+K]+ 459.00266 168.9
[M+H-H2O]+ 403.03676 148.2
[M+HCOO]- 465.03770 163.2
[M+CH3COO]- 479.05335 225.4
[M+Na-2H]- 441.01417 168.5
[M]+ 420.03895 149.7
[M]- 420.04005 149.7
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