CID 1859685

2-(nonafluorobutyl)-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C13H5F9O2
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H5F9O2/c14-10(15,11(16,17)12(18,19)13(20,21)22)9-5-7(23)6-3-1-2-4-8(6)24-9/h1-5H
InChIKey
YTRLZMSTOMYNQS-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.0146 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.02188 171.5
[M+Na]+ 387.00382 183.0
[M-H]- 363.00732 166.2
[M+NH4]+ 382.04842 183.6
[M+K]+ 402.97776 178.9
[M+H-H2O]+ 347.01186 158.8
[M+HCOO]- 409.01280 178.1
[M+CH3COO]- 423.02845 213.2
[M+Na-2H]- 384.98927 178.1
[M]+ 364.01405 161.4
[M]- 364.01515 161.4
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.