CID 90355675

(3,3-difluorocyclobutyl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₅H₇ClF₂O₂S

SMILES

C1C(CC1(F)F)CS(=O)(=O)Cl

InChI

InChI=1S/C5H7ClF2O2S/c6-11(9,10)3-4-1-5(7,8)2-4/h4H,1-3H2

InChIKey

UUMFLEUTZDVHNQ-UHFFFAOYSA-N

Compound name

(3,3-difluorocyclobutyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 203.98233 Da
Monoisotopic Mass: 1.8
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]+	204.98961	126.3
[M+Na]+	226.97155	134.7
[M-H]-	202.97505	127.7
[M+NH4]+	222.01615	142.1
[M+K]+	242.94549	134.1
[M+H-H2O]+	186.97959	117.2
[M+HCOO]-	248.98053	136.2
[M+CH3COO]-	262.99618	182.0
[M+Na-2H]-	224.95700	130.5
[M]+	203.98178	135.9
[M]-	203.98288	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe