CID 28091

2-acetylaminofluorene-n-sulfate

Structural Information

Molecular Formula
C15H13NO5S
SMILES
CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)OS(=O)(=O)O
InChI
InChI=1S/C15H13NO5S/c1-10(17)16(21-22(18,19)20)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKey
VAQHXJKAFOKQTD-UHFFFAOYSA-N
Compound name
[acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1
Patents

319.05145 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.05873 167.7
[M+Na]+ 342.04067 177.7
[M+NH4]+ 337.08527 174.8
[M+K]+ 358.01461 173.5
[M-H]- 318.04417 168.4
[M+Na-2H]- 340.02612 171.6
[M]+ 319.05090 169.6
[M]- 319.05200 169.6
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