CID 3061923

2-(tridecylimino-(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula
C26H35Cl2NO
SMILES
CCCCCCCCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C26H35Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-14-19-29-26(22-15-12-13-16-24(22)28)23-20-21(27)17-18-25(23)30/h12-13,15-18,20,30H,2-11,14,19H2,1H3
InChIKey
DOOSRNLTHXLNTM-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-tridecylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.20956 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.21684 213.6
[M+Na]+ 470.19878 218.2
[M-H]- 446.20228 217.6
[M+NH4]+ 465.24338 224.1
[M+K]+ 486.17272 208.7
[M+H-H2O]+ 430.20682 205.3
[M+HCOO]- 492.20776 224.6
[M+CH3COO]- 506.22341 234.6
[M+Na-2H]- 468.18423 210.8
[M]+ 447.20901 220.9
[M]- 447.21011 220.9
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.