CID 3061919

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

Structural Information

Molecular Formula
C22H27Cl2NO
SMILES
CCCCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C22H27Cl2NO/c1-2-3-4-5-6-7-10-15-25-22(18-11-8-9-12-20(18)24)19-16-17(23)13-14-21(19)26/h8-9,11-14,16,26H,2-7,10,15H2,1H3
InChIKey
QRPULNMDDGVKIH-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.14697 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.15425 195.7
[M+Na]+ 414.13619 202.1
[M-H]- 390.13969 200.6
[M+NH4]+ 409.18079 208.5
[M+K]+ 430.11013 193.5
[M+H-H2O]+ 374.14423 188.3
[M+HCOO]- 436.14517 208.1
[M+CH3COO]- 450.16082 223.1
[M+Na-2H]- 412.12164 195.1
[M]+ 391.14642 201.7
[M]- 391.14752 201.7
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.