CID 3061914

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

Structural Information

Molecular Formula
C19H21Cl2NO
SMILES
CCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C19H21Cl2NO/c1-2-3-4-7-12-22-19(15-8-5-6-9-17(15)21)16-13-14(20)10-11-18(16)23/h5-6,8-11,13,23H,2-4,7,12H2,1H3
InChIKey
MXQCDPGEIVEAGU-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-hexylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10728 182.1
[M+Na]+ 372.08922 189.8
[M-H]- 348.09272 187.6
[M+NH4]+ 367.13382 196.6
[M+K]+ 388.06316 181.9
[M+H-H2O]+ 332.09726 175.4
[M+HCOO]- 394.09820 195.6
[M+CH3COO]- 408.11385 214.5
[M+Na-2H]- 370.07467 183.1
[M]+ 349.09945 187.0
[M]- 349.10055 187.0
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.