CID 9652627

4-(2-acetylcarbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C16H13ClN2O3
SMILES
CC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H13ClN2O3/c1-11(20)19-18-10-12-2-8-15(9-3-12)22-16(21)13-4-6-14(17)7-5-13/h2-10H,1H3,(H,19,20)/b18-10+
InChIKey
HAIJNOOCTFASOG-VCHYOVAHSA-N
Compound name
[4-[(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]+ 317.068736 170.9
[M+Na]+ 339.050678 178.3
[M-H]- 315.054184 179.0
[M+NH4]+ 334.095283 186.1
[M+K]+ 355.024618 174.0
[M+H-H2O]+ 299.058720 163.2
[M+HCOO]- 361.059661 192.9
[M+CH3COO]- 375.075311 209.9
[M+Na-2H]- 337.036126 174.8
[M]+ 316.06091142 175.0
[M]- 316.06200858 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.