CID 11048287

39847-37-5

Structural Information

Molecular Formula
C5HF12NO4S2
SMILES
C(C(C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C5HF12NO4S2/c6-1(7,3(10,11)12)2(8,9)4(13,14)23(19,20)18-24(21,22)5(15,16)17/h18H
InChIKey
KRQOMVHYHHRBPT-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N-(trifluoromethylsulfonyl)butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

430.91553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.92281 169.3
[M+Na]+ 453.90475 176.8
[M-H]- 429.90825 155.2
[M+NH4]+ 448.94935 161.9
[M+K]+ 469.87869 172.6
[M+H-H2O]+ 413.91279 155.1
[M+HCOO]- 475.91373 175.7
[M+CH3COO]- 489.92938 217.9
[M+Na-2H]- 451.89020 174.5
[M]+ 430.91498 154.1
[M]- 430.91608 154.1
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

patents stripe