CID 3061933

80018-29-7

Structural Information

Molecular Formula
C19H21Cl2NO
SMILES
CC(C)CC(C)N=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C19H21Cl2NO/c1-12(2)10-13(3)22-19(15-6-4-5-7-17(15)21)16-11-14(20)8-9-18(16)23/h4-9,11-13,23H,10H2,1-3H3
InChIKey
XKDFHKTXZAITNM-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-(4-methylpentan-2-yl)carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10728 180.6
[M+Na]+ 372.08922 187.8
[M-H]- 348.09272 186.4
[M+NH4]+ 367.13382 195.1
[M+K]+ 388.06316 181.0
[M+H-H2O]+ 332.09726 174.5
[M+HCOO]- 394.09820 192.3
[M+CH3COO]- 408.11385 216.2
[M+Na-2H]- 370.07467 179.5
[M]+ 349.09945 184.6
[M]- 349.10055 184.6
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.