CID 20395353

Schembl4358890

Structural Information

Molecular Formula
C10HF14NO2S
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10HF14NO2S/c11-1-2(12)4(14)6(5(15)3(1)13)25-28(26,27)10(23,24)8(18,19)7(16,17)9(20,21)22/h25H
InChIKey
GZGDCCBHZJSYLK-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2,3,4,5,6-pentafluorophenyl)butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

464.95044 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.95772 183.4
[M+Na]+ 487.93966 195.3
[M-H]- 463.94316 171.7
[M+NH4]+ 482.98426 191.5
[M+K]+ 503.91360 189.1
[M+H-H2O]+ 447.94770 167.2
[M+HCOO]- 509.94864 181.5
[M+CH3COO]- 523.96429 232.2
[M+Na-2H]- 485.92511 182.3
[M]+ 464.94989 166.4
[M]- 464.95099 166.4
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