CID 9561772

4454-53-9

Structural Information

Molecular Formula
C8H8F3N3O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N/N=C(/C(F)(F)F)\N
InChI
InChI=1S/C8H8F3N3O2S/c9-8(10,11)7(12)13-14-17(15,16)6-4-2-1-3-5-6/h1-5,14H,(H2,12,13)
InChIKey
VYYBGPDFMAIJFS-UHFFFAOYSA-N
Compound name
N'-(benzenesulfonamido)-2,2,2-trifluoroethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03621 149.6
[M+Na]+ 290.01815 156.5
[M-H]- 266.02165 150.1
[M+NH4]+ 285.06275 165.5
[M+K]+ 305.99209 153.2
[M+H-H2O]+ 250.02619 140.2
[M+HCOO]- 312.02713 166.5
[M+CH3COO]- 326.04278 198.9
[M+Na-2H]- 288.00360 154.7
[M]+ 267.02838 145.1
[M]- 267.02948 145.1
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.