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

literature stripe

Patent stripe

patents stripe