CID 347383

2,3-diphenyl-2-cyclopropene-1-carboxylic acid

Structural Information

Molecular Formula
C16H12O2
SMILES
C1=CC=C(C=C1)C2=C(C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O2/c17-16(18)15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,15H,(H,17,18)
InChIKey
LRFRUFJNOGIAFA-UHFFFAOYSA-N
Compound name
2,3-diphenylcycloprop-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

236.08372 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 147.0
[M+Na]+ 259.07294 156.9
[M-H]- 235.07644 156.7
[M+NH4]+ 254.11754 159.3
[M+K]+ 275.04688 152.2
[M+H-H2O]+ 219.08098 139.8
[M+HCOO]- 281.08192 171.1
[M+CH3COO]- 295.09757 160.0
[M+Na-2H]- 257.05839 152.8
[M]+ 236.08317 149.7
[M]- 236.08427 149.7
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.