CID 3421010

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n-phenylnonanamide

Structural Information

Molecular Formula
C15H6F17NO
SMILES
C1=CC=C(C=C1)NC(=O)C(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/C15H6F17NO/c16-8(17,7(34)33-6-4-2-1-3-5-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-5H,(H,33,34)
InChIKey
IUSKDJJOYQLBDY-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

539.0178 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.02508 206.5
[M+Na]+ 562.00702 214.6
[M-H]- 538.01052 192.3
[M+NH4]+ 557.05162 176.5
[M+K]+ 577.98096 209.8
[M+H-H2O]+ 522.01506 189.2
[M+HCOO]- 584.01600 188.2
[M+CH3COO]- 598.03165 244.6
[M+Na-2H]- 559.99247 208.8
[M]+ 539.01725 179.8
[M]- 539.01835 179.8
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

patents stripe