CID 100946211

424-01-1

Structural Information

Molecular Formula
C11H6F15NO
SMILES
C=CC(=O)NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F15NO/c1-2-4(28)27-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2,(H,27,28)
InChIKey
GZUJPJBXZUVMML-UHFFFAOYSA-N
Compound name
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

453.021 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.02828 164.2
[M+Na]+ 476.01022 172.6
[M-H]- 452.01372 172.0
[M+NH4]+ 471.05482 172.8
[M+K]+ 491.98416 177.7
[M+H-H2O]+ 436.01826 171.4
[M+HCOO]- 498.01920 182.5
[M+CH3COO]- 512.03485 232.0
[M+Na-2H]- 473.99567 163.6
[M]+ 453.02045 160.9
[M]- 453.02155 160.9
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

No patent data available for this compound.