CID 2736648

7-iodo-9h-fluorene-4-carboxylic acid

Structural Information

Molecular Formula
C14H9IO2
SMILES
C1C2=C(C3=C1C=C(C=C3)I)C(=CC=C2)C(=O)O
InChI
InChI=1S/C14H9IO2/c15-10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)14(16)17/h1-5,7H,6H2,(H,16,17)
InChIKey
CUQWLXGXIQEWQY-UHFFFAOYSA-N
Compound name
7-iodo-9H-fluorene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

335.96472 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.97200 151.9
[M+Na]+ 358.95394 154.6
[M-H]- 334.95744 149.4
[M+NH4]+ 353.99854 168.3
[M+K]+ 374.92788 155.9
[M+H-H2O]+ 318.96198 143.0
[M+HCOO]- 380.96292 168.1
[M+CH3COO]- 394.97857 161.0
[M+Na-2H]- 356.93939 145.5
[M]+ 335.96417 150.1
[M]- 335.96527 150.1
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