CID 11367903

49591-20-0

Structural Information

Molecular Formula

C₁₀H₁₄ClNS

SMILES

CC(C)(C)N=S(C1=CC=CC=C1)Cl

InChI

InChI=1S/C10H14ClNS/c1-10(2,3)12-13(11)9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey

RZJYQVFWNHEPTH-UHFFFAOYSA-N

Compound name

tert-butylimino-chloro-phenyl-lambda4-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 182
Patents: 215.05354 Da
Monoisotopic Mass: 4.8
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]+	216.06082	145.3
[M+Na]+	238.04276	153.3
[M-H]-	214.04626	150.6
[M+NH4]+	233.08736	166.0
[M+K]+	254.01670	149.4
[M+H-H2O]+	198.05080	140.3
[M+HCOO]-	260.05174	159.8
[M+CH3COO]-	274.06739	188.5
[M+Na-2H]-	236.02821	149.3
[M]+	215.05299	148.8
[M]-	215.05409	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe