CID 614894

N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C16H26F7NO
SMILES
CCCCCCCCCCCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H26F7NO/c1-2-3-4-5-6-7-8-9-10-11-12-24-13(25)14(17,18)15(19,20)16(21,22)23/h2-12H2,1H3,(H,24,25)
InChIKey
UTGSQSVMPFAJMN-UHFFFAOYSA-N
Compound name
N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

381.19025 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19753 188.4
[M+Na]+ 404.17947 192.4
[M-H]- 380.18297 178.3
[M+NH4]+ 399.22407 199.8
[M+K]+ 420.15341 188.3
[M+H-H2O]+ 364.18751 176.8
[M+HCOO]- 426.18845 197.1
[M+CH3COO]- 440.20410 223.2
[M+Na-2H]- 402.16492 187.5
[M]+ 381.18970 181.5
[M]- 381.19080 181.5
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.