CID 88856

21286-54-4

Structural Information

Molecular Formula

C₁₀H₁₅ClO₃S

SMILES

CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)Cl)C

InChI

InChI=1S/C10H15ClO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3/t7-,10-/m1/s1

InChIKey

BGABKEVTHIJBIW-GMSGAONNSA-N

Compound name

[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1086
Patents: 250.04305 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]+	251.05033	154.4
[M+Na]+	273.03227	165.4
[M-H]-	249.03577	158.1
[M+NH4]+	268.07687	182.4
[M+K]+	289.00621	161.4
[M+H-H2O]+	233.04031	154.2
[M+HCOO]-	295.04125	165.3
[M+CH3COO]-	309.05690	187.5
[M+Na-2H]-	271.01772	158.4
[M]+	250.04250	160.4
[M]-	250.04360	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe