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

553967
Patents

104.0626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.06988 117.1
[M+Na]+ 127.05182 125.4
[M-H]- 103.05532 121.0
[M+NH4]+ 122.09642 140.3
[M+K]+ 143.02576 123.3
[M+H-H2O]+ 87.059860 112.3
[M+HCOO]- 149.06080 142.4
[M+CH3COO]- 163.07645 167.6
[M+Na-2H]- 125.03727 126.3
[M]+ 104.06205 116.1
[M]- 104.06315 116.1
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.