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

544
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

No literature data available for this compound.

Patent stripe

patents stripe