CID 86668230

958445-53-9

Structural Information

Molecular Formula
C7H4F12O3
SMILES
C(C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(F)F)O
InChI
InChI=1S/C7H4F12O3/c8-2(3(9,10)1-20)21-5(13,14)4(11,12)6(15,16)22-7(17,18)19/h2,20H,1H2
InChIKey
OVOAULABUSUXHV-UHFFFAOYSA-N
Compound name
2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

363.9969 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00418 164.0
[M+Na]+ 386.98612 172.5
[M-H]- 362.98962 149.3
[M+NH4]+ 382.03072 149.7
[M+K]+ 402.96006 170.6
[M+H-H2O]+ 346.99416 151.2
[M+HCOO]- 408.99510 162.3
[M+CH3COO]- 423.01075 211.1
[M+Na-2H]- 384.97157 166.7
[M]+ 363.99635 147.5
[M]- 363.99745 147.5
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

patents stripe