CID 3119884

N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C18H8F7NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H8F7NO3/c19-16(20,17(21,22)18(23,24)25)15(29)26-11-7-3-6-10-12(11)14(28)9-5-2-1-4-8(9)13(10)27/h1-7H,(H,26,29)
InChIKey
CNBJFNYJJAGHOD-UHFFFAOYSA-N
Compound name
N-(9,10-dioxoanthracen-1-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

419.03925 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.04653 189.3
[M+Na]+ 442.02847 199.3
[M-H]- 418.03197 186.0
[M+NH4]+ 437.07307 201.1
[M+K]+ 458.00241 193.3
[M+H-H2O]+ 402.03651 177.1
[M+HCOO]- 464.03745 197.5
[M+CH3COO]- 478.05310 227.3
[M+Na-2H]- 440.01392 193.4
[M]+ 419.03870 180.8
[M]- 419.03980 180.8
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.