CID 10915624

Pentafluorphenol-tetramethyluronium hexafluorophosphat

Structural Information

Molecular Formula
C11H12F5N2O
SMILES
CN(C)C(=[N+](C)C)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C11H12F5N2O/c1-17(2)11(18(3)4)19-10-8(15)6(13)5(12)7(14)9(10)16/h1-4H3/q+1
InChIKey
MNKNQZJTPWXIHF-UHFFFAOYSA-N
Compound name
[dimethylamino-(2,3,4,5,6-pentafluorophenoxy)methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

283.08698 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09426 155.1
[M+Na]+ 306.07620 165.3
[M-H]- 282.07970 156.4
[M+NH4]+ 301.12080 172.4
[M+K]+ 322.05014 158.5
[M+H-H2O]+ 266.08424 147.2
[M+HCOO]- 328.08518 175.7
[M+CH3COO]- 342.10083 206.8
[M+Na-2H]- 304.06165 155.9
[M]+ 283.08643 151.1
[M]- 283.08753 151.1
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