CID 22649594

2-chloro-4-methoxy-5-methylaniline

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

CC1=CC(=C(C=C1OC)Cl)N

InChI

InChI=1S/C8H10ClNO/c1-5-3-7(10)6(9)4-8(5)11-2/h3-4H,10H2,1-2H3

InChIKey

GQFBKYDJLDUZIV-UHFFFAOYSA-N

Compound name

2-chloro-4-methoxy-5-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 171.04509 Da
Monoisotopic Mass: 2.2
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]+	172.05237	131.6
[M+Na]+	194.03431	145.7
[M+NH4]+	189.07891	141.0
[M+K]+	210.00825	138.8
[M-H]-	170.03781	134.8
[M+Na-2H]-	192.01976	138.9
[M]+	171.04454	134.8
[M]-	171.04564	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe