CID 11745360

531508-46-0

Structural Information

Molecular Formula

C₈H₇F₂NO₂

SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)CN

InChI

InChI=1S/C8H7F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H,4,11H2

InChIKey

LZUWIFLVQKZUOO-UHFFFAOYSA-N

Compound name

(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 187.04448 Da
Monoisotopic Mass: 1.4
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]+	188.05176	136.9
[M+Na]+	210.03370	147.0
[M+NH4]+	205.07830	145.6
[M+K]+	226.00764	142.1
[M-H]-	186.03720	138.7
[M+Na-2H]-	208.01915	141.2
[M]+	187.04393	138.7
[M]-	187.04503	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe