CID 458554

9-acetamido-9h-fluorene-2-carboxylic acid

Structural Information

Molecular Formula
C16H13NO3
SMILES
CC(=O)NC1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)O
InChI
InChI=1S/C16H13NO3/c1-9(18)17-15-13-5-3-2-4-11(13)12-7-6-10(16(19)20)8-14(12)15/h2-8,15H,1H3,(H,17,18)(H,19,20)
InChIKey
ZSTCTVFWTJWEQB-UHFFFAOYSA-N
Compound name
9-acetamido-9H-fluorene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.08954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 158.5
[M+Na]+ 290.07876 166.7
[M-H]- 266.08226 163.2
[M+NH4]+ 285.12336 178.0
[M+K]+ 306.05270 162.6
[M+H-H2O]+ 250.08680 152.7
[M+HCOO]- 312.08774 179.6
[M+CH3COO]- 326.10339 199.1
[M+Na-2H]- 288.06421 162.4
[M]+ 267.08899 159.4
[M]- 267.09009 159.4
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.