CID 3089658

N-methylperfluoroheptanamide

Structural Information

Molecular Formula
C8H4F13NO
SMILES
CNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F13NO/c1-22-2(23)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H3,(H,22,23)
InChIKey
GMDGDPMNUQLIPP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

377.00854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.01582 167.6
[M+Na]+ 399.99776 176.3
[M-H]- 376.00126 153.7
[M+NH4]+ 395.04236 159.5
[M+K]+ 415.97170 173.6
[M+H-H2O]+ 360.00580 154.3
[M+HCOO]- 422.00674 171.0
[M+CH3COO]- 436.02239 219.0
[M+Na-2H]- 397.98321 170.7
[M]+ 377.00799 146.9
[M]- 377.00909 146.9
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