CID 4438230

47795-34-6

Structural Information

Molecular Formula
C14H5F23O
SMILES
C1C(O1)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H5F23O/c15-4(16,1-3-2-38-3)6(18,19)8(22,23)10(26,27)12(30,31)11(28,29)9(24,25)7(20,21)5(17,13(32,33)34)14(35,36)37/h3H,1-2H2
InChIKey
VUXJDZVQYBZCFC-UHFFFAOYSA-N
Compound name
2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-icosafluoro-10-(trifluoromethyl)undecyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

140
Patents

625.9973 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.00458 190.3
[M+Na]+ 648.98652 196.9
[M-H]- 624.99002 199.0
[M+NH4]+ 644.03112 201.8
[M+K]+ 664.96046 207.5
[M+H-H2O]+ 608.99456 180.6
[M+HCOO]- 670.99550 213.3
[M+CH3COO]- 685.01115 254.6
[M+Na-2H]- 646.97197 192.2
[M]+ 625.99675 194.4
[M]- 625.99785 194.4
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