CID 9630826

3-(2-acetylcarbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C16H13ClN2O3
SMILES
CC(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H13ClN2O3/c1-11(20)19-18-10-12-3-2-4-15(9-12)22-16(21)13-5-7-14(17)8-6-13/h2-10H,1H3,(H,19,20)/b18-10+
InChIKey
QXKGXRYWOPASSQ-VCHYOVAHSA-N
Compound name
[3-[(E)-(acetylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06146 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06874 170.9
[M+Na]+ 339.05068 178.3
[M-H]- 315.05418 179.0
[M+NH4]+ 334.09528 186.1
[M+K]+ 355.02462 174.0
[M+H-H2O]+ 299.05872 163.2
[M+HCOO]- 361.05966 192.9
[M+CH3COO]- 375.07531 209.9
[M+Na-2H]- 337.03613 174.8
[M]+ 316.06091 175.0
[M]- 316.06201 175.0
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.