CID 4460709

26138-77-2

Structural Information

Molecular Formula

C₁₀H₁₃Cl

SMILES

CC1=CC(=C(C(=C1C)C)C)Cl

InChI

InChI=1S/C10H13Cl/c1-6-5-10(11)9(4)8(3)7(6)2/h5H,1-4H3

InChIKey

XBGOUJALJVZXEF-UHFFFAOYSA-N

Compound name

1-chloro-2,3,4,5-tetramethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 168.07057 Da
Monoisotopic Mass: 4.0
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]+	169.07785	131.1
[M+Na]+	191.05979	142.7
[M-H]-	167.06329	135.8
[M+NH4]+	186.10439	153.9
[M+K]+	207.03373	138.8
[M+H-H2O]+	151.06783	127.5
[M+HCOO]-	213.06877	150.8
[M+CH3COO]-	227.08442	182.9
[M+Na-2H]-	189.04524	135.9
[M]+	168.07002	134.9
[M]-	168.07112	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe