CID 16729511

Chembl389144

Structural Information

Molecular Formula
C11H5F5N2O2
SMILES
C1=COC=C1C(=O)NNC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C11H5F5N2O2/c12-5-6(13)8(15)10(9(16)7(5)14)17-18-11(19)4-1-2-20-3-4/h1-3,17H,(H,18,19)
InChIKey
QLXFORFAUGGGJM-UHFFFAOYSA-N
Compound name
N'-(2,3,4,5,6-pentafluorophenyl)furan-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.02713 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03441 156.0
[M+Na]+ 315.01635 166.9
[M-H]- 291.01985 158.4
[M+NH4]+ 310.06095 171.7
[M+K]+ 330.99029 163.4
[M+H-H2O]+ 275.02439 145.0
[M+HCOO]- 337.02533 177.3
[M+CH3COO]- 351.04098 206.1
[M+Na-2H]- 313.00180 157.0
[M]+ 292.02658 151.7
[M]- 292.02768 151.7
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

No patent data available for this compound.