CID 2794914

(2,6-dichloro-3-nitrophenyl)methanol

Structural Information

Molecular Formula

C₇H₅Cl₂NO₃

SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])Cl)CO)Cl

InChI

InChI=1S/C7H5Cl2NO3/c8-5-1-2-6(10(12)13)7(9)4(5)3-11/h1-2,11H,3H2

InChIKey

SBOJVVSPAOOEEB-UHFFFAOYSA-N

Compound name

(2,6-dichloro-3-nitrophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 220.96465 Da
Monoisotopic Mass: 2.1
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]+	221.97193	137.9
[M+Na]+	243.95387	153.2
[M+NH4]+	238.99847	146.6
[M+K]+	259.92781	148.9
[M-H]-	219.95737	140.8
[M+Na-2H]-	241.93932	144.4
[M]+	220.96410	141.4
[M]-	220.96520	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe