CID 67282142

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

Structural Information

Molecular Formula

C₇H₅F₂NO₃

SMILES

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

InChI

InChI=1S/C7H5F2NO3/c8-5-1-2-6(10(12)13)7(9)4(5)3-11/h1-2,11H,3H2

InChIKey

PJAYEVAHCDPHOX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 189.02374 Da
Monoisotopic Mass: 1.1
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]+	190.03102	131.0
[M+Na]+	212.01296	142.8
[M+NH4]+	207.05756	137.6
[M+K]+	227.98690	140.4
[M-H]-	188.01646	130.8
[M+Na-2H]-	209.99841	135.9
[M]+	189.02319	132.3
[M]-	189.02429	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe