CID 57358057

39492-90-5

Structural Information

Molecular Formula
C6HF11O6
SMILES
C(=O)(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6HF11O6/c7-2(8,1(18)19)20-4(12,13)22-6(16,17)23-5(14,15)21-3(9,10)11/h(H,18,19)
InChIKey
RVMKCACFKFAJPS-UHFFFAOYSA-N
Compound name
2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

377.95975 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.96703 161.3
[M+Na]+ 400.94897 146.9
[M-H]- 376.95247 146.8
[M+NH4]+ 395.99357 149.3
[M+K]+ 416.92291 169.8
[M+H-H2O]+ 360.95701 149.2
[M+HCOO]- 422.95795 160.9
[M+CH3COO]- 436.97360 210.2
[M+Na-2H]- 398.93442 166.4
[M]+ 377.95920 140.4
[M]- 377.96030 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe