CID 3439924

N-{4-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)amino]benzene-1-sulfonyl}acetamide

Structural Information

Molecular Formula
C12H9F9N2O5S2
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H9F9N2O5S2/c1-6(24)22-29(25,26)8-4-2-7(3-5-8)23-30(27,28)12(20,21)10(15,16)9(13,14)11(17,18)19/h2-5,23H,1H3,(H,22,24)
InChIKey
IIGNRGIDQZSRJU-UHFFFAOYSA-N
Compound name
N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)phenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

495.98093 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.98821 190.0
[M+Na]+ 518.97015 195.7
[M-H]- 494.97365 181.1
[M+NH4]+ 514.01475 195.4
[M+K]+ 534.94409 190.6
[M+H-H2O]+ 478.97819 176.2
[M+HCOO]- 540.97913 187.3
[M+CH3COO]- 554.99478 231.8
[M+Na-2H]- 516.95560 195.8
[M]+ 495.98038 180.2
[M]- 495.98148 180.2
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.