CID 5702819

262296-38-8

Structural Information

Molecular Formula

C₇H₁₁BrF₂

SMILES

CCCC/C=C/C(F)(F)Br

InChI

InChI=1S/C7H11BrF2/c1-2-3-4-5-6-7(8,9)10/h5-6H,2-4H2,1H3/b6-5+

InChIKey

LQSFBLRBYQAEKS-AATRIKPKSA-N

Compound name

(E)-1-bromo-1,1-difluorohept-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.00122 Da
Monoisotopic Mass: 4.1
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]+	213.00850	141.1
[M+Na]+	234.99044	152.4
[M-H]-	210.99394	141.7
[M+NH4]+	230.03504	163.6
[M+K]+	250.96438	141.0
[M+H-H2O]+	194.99848	140.8
[M+HCOO]-	256.99942	158.8
[M+CH3COO]-	271.01507	185.1
[M+Na-2H]-	232.97589	147.9
[M]+	212.00067	157.5
[M]-	212.00177	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe