CID 137833686

(z)-n'-hydroxy-2-(trifluoromethyl)thiophene-3-carboximidamide

Structural Information

Molecular Formula
C6H5F3N2OS
SMILES
C1=CSC(=C1/C(=N/O)/N)C(F)(F)F
InChI
InChI=1S/C6H5F3N2OS/c7-6(8,9)4-3(1-2-13-4)5(10)11-12/h1-2,12H,(H2,10,11)
InChIKey
WLRPHGBVBBKAHI-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-(trifluoromethyl)thiophene-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00746 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01474 136.6
[M+Na]+ 232.99668 145.1
[M-H]- 209.00018 136.5
[M+NH4]+ 228.04128 156.9
[M+K]+ 248.97062 142.1
[M+H-H2O]+ 193.00472 128.6
[M+HCOO]- 255.00566 153.5
[M+CH3COO]- 269.02131 185.6
[M+Na-2H]- 230.98213 137.9
[M]+ 210.00691 132.2
[M]- 210.00801 132.2
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.