CID 15055778

2-phenyl-2,3-dihydro-1h-indene-2-carboxylic acid

Structural Information

Molecular Formula
C16H14O2
SMILES
C1C2=CC=CC=C2CC1(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H14O2/c17-15(18)16(14-8-2-1-3-9-14)10-12-6-4-5-7-13(12)11-16/h1-9H,10-11H2,(H,17,18)
InChIKey
BBKINZRUIDZNFC-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-dihydroindene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

238.09938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 154.5
[M+Na]+ 261.08860 162.1
[M-H]- 237.09210 161.0
[M+NH4]+ 256.13320 175.8
[M+K]+ 277.06254 157.5
[M+H-H2O]+ 221.09664 148.2
[M+HCOO]- 283.09758 175.5
[M+CH3COO]- 297.11323 167.0
[M+Na-2H]- 259.07405 159.5
[M]+ 238.09883 152.8
[M]- 238.09993 152.8
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