CID 15584680

N,n-dichloro-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C4Cl2F7NO
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)N(Cl)Cl
InChI
InChI=1S/C4Cl2F7NO/c5-14(6)1(15)2(7,8)3(9,10)4(11,12)13
InChIKey
AJYJTGVHYUFWOB-UHFFFAOYSA-N
Compound name
N,N-dichloro-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.92453 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.93181 137.7
[M+Na]+ 303.91375 147.9
[M-H]- 279.91725 131.1
[M+NH4]+ 298.95835 155.0
[M+K]+ 319.88769 144.2
[M+H-H2O]+ 263.92179 129.8
[M+HCOO]- 325.92273 142.1
[M+CH3COO]- 339.93838 199.4
[M+Na-2H]- 301.89920 141.8
[M]+ 280.92398 131.2
[M]- 280.92508 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.