CID 2778805

87136-78-5

Structural Information

Molecular Formula

SMILES

C(C(OC(F)(F)Br)(F)F)(OC(F)(F)F)(F)F

InChI

InChI=1S/C4BrF9O2/c5-3(10,11)15-1(6,7)2(8,9)16-4(12,13)14

InChIKey

GCVSMPDTTNOVDZ-UHFFFAOYSA-N

Compound name

1-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 329.8938 Da
Monoisotopic Mass: 4.3
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]+	330.90108	163.2
[M+Na]+	352.88302	176.1
[M-H]-	328.88652	156.3
[M+NH4]+	347.92762	180.0
[M+K]+	368.85696	165.4
[M+H-H2O]+	312.89106	157.7
[M+HCOO]-	374.89200	170.3
[M+CH3COO]-	388.90765	201.8
[M+Na-2H]-	350.86847	168.6
[M]+	329.89325	169.8
[M]-	329.89435	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe