CID 3016058

2-chloro-6-cyclohexyl-4-nitrophenol

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₃

SMILES

C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C12H14ClNO3/c13-11-7-9(14(16)17)6-10(12(11)15)8-4-2-1-3-5-8/h6-8,15H,1-5H2

InChIKey

HOVSIVIXNWEURQ-UHFFFAOYSA-N

Compound name

2-chloro-6-cyclohexyl-4-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.06622 Da
Monoisotopic Mass: 4.6
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]+	256.073496	155.2
[M+Na]+	278.055438	160.8
[M-H]-	254.058944	159.9
[M+NH4]+	273.100043	171.3
[M+K]+	294.029378	152.5
[M+H-H2O]+	238.063480	154.1
[M+HCOO]-	300.064421	171.1
[M+CH3COO]-	314.080071	185.0
[M+Na-2H]-	276.040886	159.1
[M]+	255.06567142	151.2
[M]-	255.06676858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe