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
9
Annotation Hits

4838
References

264017
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 118.9
[M+Na]+ 127.05182 133.2
[M+NH4]+ 122.09642 129.2
[M+K]+ 143.02576 125.3
[M-H]- 103.05532 122.3
[M+Na-2H]- 125.03727 128.0
[M]+ 104.06205 122.0
[M]- 104.06315 122.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe