CID 155937598

2172029-58-0

Structural Information

Molecular Formula

C₄H₆FN₃O₂S

SMILES

CN1C=C(N=N1)CS(=O)(=O)F

InChI

InChI=1S/C4H6FN3O2S/c1-8-2-4(6-7-8)3-11(5,9)10/h2H,3H2,1H3

InChIKey

LMRBMOXUUXRGIC-UHFFFAOYSA-N

Compound name

(1-methyltriazol-4-yl)methanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.01648 Da
Monoisotopic Mass: -0.6
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]+	180.02376	132.0
[M+Na]+	202.00570	143.7
[M-H]-	178.00920	131.5
[M+NH4]+	197.05030	150.7
[M+K]+	217.97964	141.8
[M+H-H2O]+	162.01374	124.8
[M+HCOO]-	224.01468	148.0
[M+CH3COO]-	238.03033	175.0
[M+Na-2H]-	199.99115	135.9
[M]+	179.01593	134.7
[M]-	179.01703	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.