CID 10977366

185739-14-4

Structural Information

Molecular Formula

C₉H₈F₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC=C(F)F

InChI

InChI=1S/C9H8F2O3S/c1-7-2-4-8(5-3-7)15(12,13)14-6-9(10)11/h2-6H,1H3

InChIKey

ZQLLPWMNXQYESO-UHFFFAOYSA-N

Compound name

2,2-difluoroethenyl 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 173
Patents: 234.01622 Da
Monoisotopic Mass: 2.4
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]+	235.02350	143.2
[M+Na]+	257.00544	152.4
[M-H]-	233.00894	144.7
[M+NH4]+	252.05004	161.5
[M+K]+	272.97938	149.2
[M+H-H2O]+	217.01348	135.9
[M+HCOO]-	279.01442	159.0
[M+CH3COO]-	293.03007	185.7
[M+Na-2H]-	254.99089	145.9
[M]+	234.01567	144.4
[M]-	234.01677	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe