CID 3547540

2,5-bis(2,2,2-trifluoroethoxy)benzoic acid hydrazide

Structural Information

Molecular Formula
C11H10F6N2O3
SMILES
C1=CC(=C(C=C1OCC(F)(F)F)C(=O)NN)OCC(F)(F)F
InChI
InChI=1S/C11H10F6N2O3/c12-10(13,14)4-21-6-1-2-8(22-5-11(15,16)17)7(3-6)9(20)19-18/h1-3H,4-5,18H2,(H,19,20)
InChIKey
WJYCMPVGQTYGSQ-UHFFFAOYSA-N
Compound name
2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

332.05957 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06685 165.5
[M+Na]+ 355.04879 173.3
[M-H]- 331.05229 161.1
[M+NH4]+ 350.09339 178.4
[M+K]+ 371.02273 170.4
[M+H-H2O]+ 315.05683 154.0
[M+HCOO]- 377.05777 180.9
[M+CH3COO]- 391.07342 210.7
[M+Na-2H]- 353.03424 167.8
[M]+ 332.05902 158.5
[M]- 332.06012 158.5
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