CID 52483

O-cresol, 6-chloro-4-nitroso-

Structural Information

Molecular Formula

C₇H₆ClNO₂

SMILES

CC1=CC(=CC(=C1O)Cl)N=O

InChI

InChI=1S/C7H6ClNO2/c1-4-2-5(9-11)3-6(8)7(4)10/h2-3,10H,1H3

InChIKey

PTUGLBVXDWBNSD-UHFFFAOYSA-N

Compound name

2-chloro-6-methyl-4-nitrosophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 171.00871 Da
Monoisotopic Mass: 1.9
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]+	172.01599	128.7
[M+Na]+	193.99793	140.0
[M-H]-	170.00143	133.6
[M+NH4]+	189.04253	150.5
[M+K]+	209.97187	137.0
[M+H-H2O]+	154.00597	124.6
[M+HCOO]-	216.00691	151.1
[M+CH3COO]-	230.02256	180.5
[M+Na-2H]-	191.98338	135.8
[M]+	171.00816	132.5
[M]-	171.00926	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe