CID 588433

2-phenyl-2-norbornene

Structural Information

Molecular Formula
C13H14
SMILES
C1CC2CC1C=C2C3=CC=CC=C3
InChI
InChI=1S/C13H14/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-5,9-10,12H,6-8H2
InChIKey
DCTWYHZXQCNXSL-UHFFFAOYSA-N
Compound name
2-phenylbicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1202
Patents

170.10954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11682 137.6
[M+Na]+ 193.09876 145.4
[M-H]- 169.10226 144.0
[M+NH4]+ 188.14336 163.2
[M+K]+ 209.07270 141.7
[M+H-H2O]+ 153.10680 132.4
[M+HCOO]- 215.10774 160.8
[M+CH3COO]- 229.12339 151.8
[M+Na-2H]- 191.08421 142.1
[M]+ 170.10899 136.3
[M]- 170.11009 136.3
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