CID 71326933

4-(heptadecafluorooctyl)-n-methylbenzamide

Structural Information

Molecular Formula
C16H8F17NO
SMILES
CNC(=O)C1=CC=C(C=C1)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/C16H8F17NO/c1-34-8(35)6-2-4-7(5-3-6)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h2-5H,1H3,(H,34,35)
InChIKey
SWTPFYIUUFAQGT-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

553.03345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.04073 210.9
[M+Na]+ 576.02267 219.5
[M-H]- 552.02617 181.6
[M+NH4]+ 571.06727 182.5
[M+K]+ 591.99661 214.5
[M+H-H2O]+ 536.03071 193.8
[M+HCOO]- 598.03165 193.8
[M+CH3COO]- 612.04730 248.0
[M+Na-2H]- 574.00812 212.3
[M]+ 553.03290 169.6
[M]- 553.03400 169.6
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.