CID 10220142

296767-24-3

Structural Information

Molecular Formula
C8H5F5N2
SMILES
C1=CC(=C(C(=C1C(F)(F)F)C(=N)N)F)F
InChI
InChI=1S/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)
InChIKey
JYSBNJJWTHMPOC-UHFFFAOYSA-N
Compound name
2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

224.0373 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04458 140.0
[M+Na]+ 247.02652 149.7
[M-H]- 223.03002 137.6
[M+NH4]+ 242.07112 157.7
[M+K]+ 263.00046 145.7
[M+H-H2O]+ 207.03456 130.4
[M+HCOO]- 269.03550 158.4
[M+CH3COO]- 283.05115 194.6
[M+Na-2H]- 245.01197 142.4
[M]+ 224.03675 130.1
[M]- 224.03785 130.1
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.