CID 3066811

2-(2,4,6-trichloro-3-pentadecylphenoxy)propanoic acid hydrazide

Structural Information

Molecular Formula
C24H39Cl3N2O2
SMILES
CCCCCCCCCCCCCCCC1=C(C(=C(C=C1Cl)Cl)OC(C)C(=O)NN)Cl
InChI
InChI=1S/C24H39Cl3N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20(25)17-21(26)23(22(19)27)31-18(2)24(30)29-28/h17-18H,3-16,28H2,1-2H3,(H,29,30)
InChIKey
XVAGQXWZZCRVIW-UHFFFAOYSA-N
Compound name
2-(2,4,6-trichloro-3-pentadecylphenoxy)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.2077 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.21498 222.0
[M+Na]+ 515.19692 225.9
[M-H]- 491.20042 221.8
[M+NH4]+ 510.24152 231.0
[M+K]+ 531.17086 217.6
[M+H-H2O]+ 475.20496 216.3
[M+HCOO]- 537.20590 227.0
[M+CH3COO]- 551.22155 245.0
[M+Na-2H]- 513.18237 214.7
[M]+ 492.20715 230.5
[M]- 492.20825 230.5
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.