CID 7501

Styrene

Structural Information

Molecular Formula

C₈H₈

SMILES

C=CC1=CC=CC=C1

InChI

InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2

InChIKey

PPBRXRYQALVLMV-UHFFFAOYSA-N

Compound name

styrene

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 4845
References: 556954
Patents: 104.0626 Da
Monoisotopic Mass: 2.9
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]+	105.069876	117.1
[M+Na]+	127.051818	125.4
[M-H]-	103.055324	121.0
[M+NH4]+	122.096423	140.3
[M+K]+	143.025758	123.3
[M+H-H2O]+	87.059860	112.3
[M+HCOO]-	149.060801	142.4
[M+CH3COO]-	163.076451	167.6
[M+Na-2H]-	125.037266	126.3
[M]+	104.06205142	116.1
[M]-	104.06314858	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe