CID 299416

Nsc172301

Structural Information

Molecular Formula
C10H6F12O4
SMILES
C1C2(C(CC(O2)(C(F)(F)F)C(F)(F)F)(OC1(C(F)(F)F)C(F)(F)F)O)O
InChI
InChI=1S/C10H6F12O4/c11-7(12,13)3(8(14,15)16)1-5(23)6(24,25-3)2-4(26-5,9(17,18)19)10(20,21)22/h23-24H,1-2H2
InChIKey
ZSTAFURXJYEDHA-UHFFFAOYSA-N
Compound name
2,2,5,5-tetrakis(trifluoromethyl)-3,6-dihydrofuro[3,2-b]furan-3a,6a-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.00745 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.01473 184.2
[M+Na]+ 440.99667 183.8
[M+NH4]+ 436.04127 184.0
[M+K]+ 456.97061 181.9
[M-H]- 417.00017 179.0
[M+Na-2H]- 438.98212 182.3
[M]+ 418.00690 182.5
[M]- 418.00800 182.5
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

No patent data available for this compound.