CID 7500

Ethylbenzene

Structural Information

Molecular Formula
C8H10
SMILES
CCC1=CC=CC=C1
InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
YNQLUTRBYVCPMQ-UHFFFAOYSA-N
Compound name
ethylbenzene
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

2330
References

145100
Patents

106.07825 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.08553 118.6
[M+Na]+ 129.06747 126.5
[M-H]- 105.07097 122.4
[M+NH4]+ 124.11207 141.7
[M+K]+ 145.04141 125.1
[M+H-H2O]+ 89.075510 113.6
[M+HCOO]- 151.07645 143.6
[M+CH3COO]- 165.09210 168.5
[M+Na-2H]- 127.05292 127.7
[M]+ 106.07770 118.2
[M]- 106.07880 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.