CID 22117668

(9h-fluoren-9-yl)methanethiol

Structural Information

Molecular Formula

C₁₄H₁₂S

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)CS

InChI

InChI=1S/C14H12S/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2

InChIKey

MXHVORUHWLKKMZ-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 212.06598 Da
Monoisotopic Mass: 3.6
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]+	213.07326	143.8
[M+Na]+	235.05520	154.6
[M-H]-	211.05870	150.1
[M+NH4]+	230.09980	167.9
[M+K]+	251.02914	149.7
[M+H-H2O]+	195.06324	138.9
[M+HCOO]-	257.06418	162.5
[M+CH3COO]-	271.07983	158.2
[M+Na-2H]-	233.04065	148.8
[M]+	212.06543	147.4
[M]-	212.06653	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe