CID 123348

Cyclopropyl phenyl sulfide

Structural Information

Molecular Formula

C₉H₁₀S

SMILES

C1CC1SC2=CC=CC=C2

InChI

InChI=1S/C9H10S/c1-2-4-8(5-3-1)10-9-6-7-9/h1-5,9H,6-7H2

InChIKey

YIBKCPJOFAUAKY-UHFFFAOYSA-N

Compound name

cyclopropylsulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 398
Patents: 150.05032 Da
Monoisotopic Mass: 3.0
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]+	151.05760	123.7
[M+Na]+	173.03954	133.1
[M-H]-	149.04304	131.5
[M+NH4]+	168.08414	140.7
[M+K]+	189.01348	130.4
[M+H-H2O]+	133.04758	117.3
[M+HCOO]-	195.04852	143.9
[M+CH3COO]-	209.06417	137.9
[M+Na-2H]-	171.02499	129.5
[M]+	150.04977	126.7
[M]-	150.05087	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe