CID 56965515

Morpholine-4-sulfonyl fluoride

Structural Information

Molecular Formula

C₄H₈FNO₃S

SMILES

C1COCCN1S(=O)(=O)F

InChI

InChI=1S/C4H8FNO3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2

InChIKey

ZEAXYCPGGIJATK-UHFFFAOYSA-N

Compound name

morpholine-4-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 169.02089 Da
Monoisotopic Mass: -0.3
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]+	170.02817	128.4
[M+Na]+	192.01011	135.8
[M-H]-	168.01361	129.8
[M+NH4]+	187.05471	146.4
[M+K]+	207.98405	136.0
[M+H-H2O]+	152.01815	122.0
[M+HCOO]-	214.01909	141.5
[M+CH3COO]-	228.03474	171.3
[M+Na-2H]-	189.99556	133.9
[M]+	169.02034	126.7
[M]-	169.02144	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe