CID 59046694

Schembl6462728

Structural Information

Molecular Formula
C7H15F3N2O4S2
SMILES
CCCN(CCC)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H15F3N2O4S2/c1-3-5-12(6-4-2)18(15,16)11-17(13,14)7(8,9)10/h11H,3-6H2,1-2H3
InChIKey
CHXGJRCJGWSLTH-UHFFFAOYSA-N
Compound name
N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

312.04254 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.04982 160.8
[M+Na]+ 335.03176 166.4
[M-H]- 311.03526 157.4
[M+NH4]+ 330.07636 175.0
[M+K]+ 351.00570 163.3
[M+H-H2O]+ 295.03980 151.8
[M+HCOO]- 357.04074 168.9
[M+CH3COO]- 371.05639 204.9
[M+Na-2H]- 333.01721 163.8
[M]+ 312.04199 161.7
[M]- 312.04309 161.7
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