CID 11310373

626232-27-7

Structural Information

Molecular Formula

C₄H₉BF₃O₃

SMILES

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

InChI

InChI=1S/C4H9BF3O3/c1-9-5(10-2,11-3)4(6,7)8/h1-3H3/q-1

InChIKey

HCOMRPQRKGBPBG-UHFFFAOYSA-N

Compound name

trimethoxy(trifluoromethyl)boranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 173.05968 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]+	174.06696	129.2
[M+Na]+	196.04890	137.6
[M-H]-	172.05240	124.5
[M+NH4]+	191.09350	149.2
[M+K]+	212.02284	138.6
[M+H-H2O]+	156.05694	125.5
[M+HCOO]-	218.05788	147.3
[M+CH3COO]-	232.07353	175.0
[M+Na-2H]-	194.03435	136.1
[M]+	173.05913	127.3
[M]-	173.06023	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe