CID 7131165

885524-77-6

Structural Information

Molecular Formula

C₈H₁₀ClNS

SMILES

CC(C)N=C(C1=CC=CS1)Cl

InChI

InChI=1S/C8H10ClNS/c1-6(2)10-8(9)7-4-3-5-11-7/h3-6H,1-2H3

InChIKey

XHZPNTWNMFCOPV-UHFFFAOYSA-N

Compound name

N-propan-2-ylthiophene-2-carboximidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 187.02225 Da
Monoisotopic Mass: 3.3
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]+	188.02953	140.4
[M+Na]+	210.01147	148.6
[M-H]-	186.01497	145.8
[M+NH4]+	205.05607	163.7
[M+K]+	225.98541	145.6
[M+H-H2O]+	170.01951	135.5
[M+HCOO]-	232.02045	156.6
[M+CH3COO]-	246.03610	183.8
[M+Na-2H]-	207.99692	141.2
[M]+	187.02170	143.8
[M]-	187.02280	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe