CID 9543008

2-phenanthrylsulfate

Structural Information

Molecular Formula
C14H10O4S
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)OS(=O)(=O)O
InChI
InChI=1S/C14H10O4S/c15-19(16,17)18-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,(H,15,16,17)
InChIKey
YCNZBVHCFDPEAJ-UHFFFAOYSA-N
Compound name
phenanthren-2-yl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.02997 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03725 155.5
[M+Na]+ 297.01919 170.8
[M+NH4]+ 292.06379 164.5
[M+K]+ 312.99313 161.9
[M-H]- 273.02269 158.1
[M+Na-2H]- 295.00464 163.3
[M]+ 274.02942 159.1
[M]- 274.03052 159.1
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.