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]+ 237.090996 147.0
[M+Na]+ 259.072938 156.9
[M-H]- 235.076444 156.7
[M+NH4]+ 254.117543 159.3
[M+K]+ 275.046878 152.2
[M+H-H2O]+ 219.080980 139.8
[M+HCOO]- 281.081921 171.1
[M+CH3COO]- 295.097571 160.0
[M+Na-2H]- 257.058386 152.8
[M]+ 236.08317142 149.7
[M]- 236.08426858 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

literature stripe

Patent stripe

patents stripe