CID 12187891

N-[6-(heptafluoropropyl)-2-oxo-2h-pyran-3-yl]benzamide

Structural Information

Molecular Formula
C15H8F7NO3
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(OC2=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H8F7NO3/c16-13(17,14(18,19)15(20,21)22)10-7-6-9(12(25)26-10)23-11(24)8-4-2-1-3-5-8/h1-7H,(H,23,24)
InChIKey
OQPNDTLZZNMIPO-UHFFFAOYSA-N
Compound name
N-[6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxopyran-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

383.03925 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.04653 177.3
[M+Na]+ 406.02847 186.5
[M-H]- 382.03197 176.3
[M+NH4]+ 401.07307 187.0
[M+K]+ 422.00241 182.8
[M+H-H2O]+ 366.03651 164.4
[M+HCOO]- 428.03745 189.0
[M+CH3COO]- 442.05310 217.2
[M+Na-2H]- 404.01392 182.0
[M]+ 383.03870 169.4
[M]- 383.03980 169.4
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.