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 169.1
[M+Na]+ 440.99667 181.4
[M-H]- 417.00017 159.6
[M+NH4]+ 436.04127 187.2
[M+K]+ 456.97061 179.9
[M+H-H2O]+ 401.00471 163.1
[M+HCOO]- 463.00565 168.2
[M+CH3COO]- 477.02130 212.0
[M+Na-2H]- 438.98212 177.7
[M]+ 418.00690 154.2
[M]- 418.00800 154.2
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.