CID 155970358

2639423-80-4

Structural Information

Molecular Formula

C₇H₉ClF₂O₃S

SMILES

C1C2(CC1(OC2)CS(=O)(=O)Cl)C(F)F

InChI

InChI=1S/C7H9ClF2O3S/c8-14(11,12)4-7-1-6(2-7,3-13-7)5(9)10/h5H,1-4H2

InChIKey

CAABBYAKGKBZGJ-UHFFFAOYSA-N

Compound name

[4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.9929 Da
Monoisotopic Mass: 1.4
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]+	247.000176	149.2
[M+Na]+	268.982118	157.3
[M-H]-	244.985624	148.7
[M+NH4]+	264.026723	170.9
[M+K]+	284.956058	158.1
[M+H-H2O]+	228.990160	144.4
[M+HCOO]-	290.991101	154.5
[M+CH3COO]-	305.006751	189.8
[M+Na-2H]-	266.967566	156.9
[M]+	245.99235142	165.6
[M]-	245.99344858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.