CID 16685422

2350272-68-1

Structural Information

Molecular Formula
C16AlF36O4
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O[Al-](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/4C4F9O.Al/c4*5-2(6,7)1(14,3(8,9)10)4(11,12)13;/q4*-1;+3
InChIKey
MRDOWOMGWSODCT-UHFFFAOYSA-N
Compound name
tetrakis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]alumanuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

966.9037 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 967.91098 224.9
[M+Na]+ 989.89292 225.4
[M-H]- 965.89642 237.4
[M+NH4]+ 984.93752 237.0
[M+K]+ 1005.8669 242.5
[M+H-H2O]+ 949.90096 211.0
[M+HCOO]- 1011.9019 238.2
[M+CH3COO]- 1025.9176 271.1
[M+Na-2H]- 987.87837 228.6
[M]+ 966.90315 219.8
[M]- 966.90425 219.8
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