CID 21732502

Dtxsid00894143

Structural Information

Molecular Formula

C₄H₆BF₂O₄

SMILES

[B-](OC(=O)C)(OC(=O)C)(F)F

InChI

InChI=1S/C4H6BF2O4/c1-3(8)10-5(6,7)11-4(2)9/h1-2H3/q-1

InChIKey

JGJZMUYPPJTQAZ-UHFFFAOYSA-N

Compound name

diacetyloxy(difluoro)boranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 167.03271 Da
Monoisotopic Mass: None
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]+	168.03999	126.1
[M+Na]+	190.02193	134.2
[M-H]-	166.02543	122.6
[M+NH4]+	185.06653	146.0
[M+K]+	205.99587	135.4
[M+H-H2O]+	150.02997	122.9
[M+HCOO]-	212.03091	145.5
[M+CH3COO]-	226.04656	172.6
[M+Na-2H]-	188.00738	130.3
[M]+	167.03216	124.6
[M]-	167.03326	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe