CID 3373415

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

Structural Information

Molecular Formula
C9H2F17NO
SMILES
C(=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)N
InChI
InChI=1S/C9H2F17NO/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H2,27,28)
InChIKey
IGRZVTLQMRLRQZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

462.98648 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.99376 156.7
[M+Na]+ 485.97570 164.2
[M-H]- 461.97920 165.8
[M+NH4]+ 481.02030 165.3
[M+K]+ 501.94964 170.5
[M+H-H2O]+ 445.98374 146.0
[M+HCOO]- 507.98468 174.5
[M+CH3COO]- 522.00033 233.5
[M+Na-2H]- 483.96115 157.4
[M]+ 462.98593 153.0
[M]- 462.98703 153.0
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