CID 75478987

(2-aminoethyl)[(2,2,2-trifluoroethyl)sulfamoyl]amine hydrochloride

Structural Information

Molecular Formula
C4H10F3N3O2S
SMILES
C(CNS(=O)(=O)NCC(F)(F)F)N
InChI
InChI=1S/C4H10F3N3O2S/c5-4(6,7)3-10-13(11,12)9-2-1-8/h9-10H,1-3,8H2
InChIKey
PYPZKIGKXXCANI-UHFFFAOYSA-N
Compound name
N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04459 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05187 137.9
[M+Na]+ 244.03381 144.2
[M-H]- 220.03731 133.6
[M+NH4]+ 239.07841 155.0
[M+K]+ 260.00775 141.7
[M+H-H2O]+ 204.04185 129.5
[M+HCOO]- 266.04279 153.5
[M+CH3COO]- 280.05844 189.8
[M+Na-2H]- 242.01926 142.4
[M]+ 221.04404 133.3
[M]- 221.04514 133.3
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.