CID 241

Benzene

Structural Information

Molecular Formula

C₆H₆

SMILES

C1=CC=CC=C1

InChI

InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChIKey

UHOVQNZJYSORNB-UHFFFAOYSA-N

Compound name

benzene

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 36294
References: 374307
Patents: 78.04695 Da
Monoisotopic Mass: 2.1
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]+	79.054226	111.0
[M+Na]+	101.03617	125.4
[M+NH4]+	96.080773	121.9
[M+K]+	117.01011	117.8
[M-H]-	77.039674	114.7
[M+Na-2H]-	99.021616	121.1
[M]+	78.046401	114.2
[M]-	78.047499	114.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe