CID 11157197

852527-40-3

Structural Information

Molecular Formula
C15H8F17NO2
SMILES
C1=CC(=O)N(C1=O)CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H8F17NO2/c16-8(17,4-1-5-33-6(34)2-3-7(33)35)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-3H,1,4-5H2
InChIKey
QGVHMBIQPGFCFW-UHFFFAOYSA-N
Compound name
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

26
Patents

557.0284 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.03568 174.4
[M+Na]+ 580.01762 183.8
[M-H]- 556.02112 182.0
[M+NH4]+ 575.06222 185.6
[M+K]+ 595.99156 189.1
[M+H-H2O]+ 540.02566 195.9
[M+HCOO]- 602.02660 199.0
[M+CH3COO]- 616.04225 245.5
[M+Na-2H]- 578.00307 212.5
[M]+ 557.02785 173.9
[M]- 557.02895 173.9
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