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 168.8
[M+Na]+ 342.04067 177.0
[M-H]- 318.04417 174.7
[M+NH4]+ 337.08527 187.0
[M+K]+ 358.01461 174.8
[M+H-H2O]+ 302.04871 163.5
[M+HCOO]- 364.04965 185.6
[M+CH3COO]- 378.06530 205.0
[M+Na-2H]- 340.02612 173.9
[M]+ 319.05090 175.2
[M]- 319.05200 175.2
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