CID 105816

67846-65-5

Structural Information

Molecular Formula

C₁₅H₁₄ClNO₂

SMILES

CN(C1=CC=C(C=C1)C(=O)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClNO2/c1-17(14-9-5-12(16)6-10-14)13-7-3-11(4-8-13)15(18)19-2/h3-10H,1-2H3

InChIKey

AFQIBKPAYGTAHX-UHFFFAOYSA-N

Compound name

methyl 4-(4-chloro-N-methylanilino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.07132 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.07860	160.3
[M+Na]+	298.06054	168.4
[M-H]-	274.06404	168.6
[M+NH4]+	293.10514	177.7
[M+K]+	314.03448	164.9
[M+H-H2O]+	258.06858	153.2
[M+HCOO]-	320.06952	181.0
[M+CH3COO]-	334.08517	202.7
[M+Na-2H]-	296.04599	164.3
[M]+	275.07077	164.9
[M]-	275.07187	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe