CID 18178

1-phenyl-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C16H16
SMILES
C1CC(C2=CC=CC=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C16H16/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-9,11,16H,6,10,12H2
InChIKey
YSPDISPRPJFBCV-UHFFFAOYSA-N
Compound name
1-phenyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

267
Patents

208.1252 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13248 145.7
[M+Na]+ 231.11442 151.8
[M-H]- 207.11792 152.5
[M+NH4]+ 226.15902 165.1
[M+K]+ 247.08836 147.0
[M+H-H2O]+ 191.12246 138.2
[M+HCOO]- 253.12340 166.4
[M+CH3COO]- 267.13905 158.1
[M+Na-2H]- 229.09987 153.1
[M]+ 208.12465 141.6
[M]- 208.12575 141.6
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