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

11
Patents

238.09938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.106656 154.5
[M+Na]+ 261.088598 162.1
[M-H]- 237.092104 161.0
[M+NH4]+ 256.133203 175.8
[M+K]+ 277.062538 157.5
[M+H-H2O]+ 221.096640 148.2
[M+HCOO]- 283.097581 175.5
[M+CH3COO]- 297.113231 167.0
[M+Na-2H]- 259.074046 159.5
[M]+ 238.09883142 152.8
[M]- 238.09992858 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