CID 28606997

N-(3-aminopropyl)-1,1-difluoromethanesulfonamide hydrochloride

Structural Information

Molecular Formula
C4H10F2N2O2S
SMILES
C(CN)CNS(=O)(=O)C(F)F
InChI
InChI=1S/C4H10F2N2O2S/c5-4(6)11(9,10)8-3-1-2-7/h4,8H,1-3,7H2
InChIKey
YKNAQADAXRIPAM-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0431 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05038 133.1
[M+Na]+ 211.03232 139.7
[M-H]- 187.03582 130.2
[M+NH4]+ 206.07692 152.0
[M+K]+ 227.00626 137.8
[M+H-H2O]+ 171.04036 125.9
[M+HCOO]- 233.04130 149.3
[M+CH3COO]- 247.05695 182.9
[M+Na-2H]- 209.01777 135.7
[M]+ 188.04255 130.8
[M]- 188.04365 130.8
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.