CID 97182261

1450912-63-6

Structural Information

Molecular Formula

C₇H₁₃F₂N₃O₂S

SMILES

C(CCCN=[N+]=[N-])CCC(F)(F)S(=O)O

InChI

InChI=1S/C7H13F2N3O2S/c8-7(9,15(13)14)5-3-1-2-4-6-11-12-10/h1-6H2,(H,13,14)

InChIKey

TVXNJINQFJRPRI-UHFFFAOYSA-N

Compound name

7-azido-1,1-difluoroheptane-1-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.06966 Da
Monoisotopic Mass: 3.0
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]+	242.07694	145.9
[M+Na]+	264.05888	151.0
[M-H]-	240.06238	144.4
[M+NH4]+	259.10348	162.9
[M+K]+	280.03282	144.2
[M+H-H2O]+	224.06692	142.3
[M+HCOO]-	286.06786	165.0
[M+CH3COO]-	300.08351	190.6
[M+Na-2H]-	262.04433	151.2
[M]+	241.06911	143.5
[M]-	241.07021	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe