CID 2744740

Akos008548328

Structural Information

Molecular Formula
C15H10ClF3N2O3
SMILES
C1=CC(=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)Cl)OC(F)(F)F
InChI
InChI=1S/C15H10ClF3N2O3/c16-11-5-1-9(2-6-11)13(22)20-21-14(23)10-3-7-12(8-4-10)24-15(17,18)19/h1-8H,(H,20,22)(H,21,23)
InChIKey
FRQPZJVWSIHGND-UHFFFAOYSA-N
Compound name
N'-(4-chlorobenzoyl)-4-(trifluoromethoxy)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

358.0332 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04048 174.2
[M+Na]+ 381.02242 181.9
[M-H]- 357.02592 177.2
[M+NH4]+ 376.06702 187.0
[M+K]+ 396.99636 176.8
[M+H-H2O]+ 341.03046 164.6
[M+HCOO]- 403.03140 190.2
[M+CH3COO]- 417.04705 213.1
[M+Na-2H]- 379.00787 177.5
[M]+ 358.03265 173.0
[M]- 358.03375 173.0
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.