CID 44629795

9,9-dimethylfluorene-2-carboxylic acid

Structural Information

Molecular Formula
C16H14O2
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)O)C
InChI
InChI=1S/C16H14O2/c1-16(2)13-6-4-3-5-11(13)12-8-7-10(15(17)18)9-14(12)16/h3-9H,1-2H3,(H,17,18)
InChIKey
SJIBSIBHNJAUOR-UHFFFAOYSA-N
Compound name
9,9-dimethylfluorene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

238.09938 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 153.3
[M+Na]+ 261.08860 163.8
[M-H]- 237.09210 158.5
[M+NH4]+ 256.13320 176.8
[M+K]+ 277.06254 158.9
[M+H-H2O]+ 221.09664 148.3
[M+HCOO]- 283.09758 174.1
[M+CH3COO]- 297.11323 166.8
[M+Na-2H]- 259.07405 158.7
[M]+ 238.09883 155.2
[M]- 238.09993 155.2
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

patents stripe