CID 2736893

1544-85-0

Structural Information

Molecular Formula

C₇H₅F₂NO₂

SMILES

C1=CC2=C(C=C1N)OC(O2)(F)F

InChI

InChI=1S/C7H5F2NO2/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3H,10H2

InChIKey

CVYQRDKVWVBOFP-UHFFFAOYSA-N

Compound name

2,2-difluoro-1,3-benzodioxol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1005
Patents: 173.02884 Da
Monoisotopic Mass: 1.8
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]+	174.03612	132.4
[M+Na]+	196.01806	142.7
[M+NH4]+	191.06266	141.3
[M+K]+	211.99200	138.1
[M-H]-	172.02156	134.2
[M+Na-2H]-	194.00351	137.0
[M]+	173.02829	134.3
[M]-	173.02939	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe