CID 9561774

Nsc71790

Structural Information

Molecular Formula
C10H8F7N3O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N/N=C(/C(C(C(F)(F)F)(F)F)(F)F)\N
InChI
InChI=1S/C10H8F7N3O2S/c11-8(12,9(13,14)10(15,16)17)7(18)19-20-23(21,22)6-4-2-1-3-5-6/h1-5,20H,(H2,18,19)
InChIKey
ZRHFULOSEUETLM-UHFFFAOYSA-N
Compound name
N'-(benzenesulfonamido)-2,2,3,3,4,4,4-heptafluorobutanimidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

367.02255 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.02983 167.1
[M+Na]+ 390.01177 173.7
[M-H]- 366.01527 162.1
[M+NH4]+ 385.05637 178.3
[M+K]+ 405.98571 169.5
[M+H-H2O]+ 350.01981 154.5
[M+HCOO]- 412.02075 175.9
[M+CH3COO]- 426.03640 217.0
[M+Na-2H]- 387.99722 171.5
[M]+ 367.02200 156.8
[M]- 367.02310 156.8
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.