CID 98071

2,2-diphenylcyclopropanecarboxylic acid

Structural Information

Molecular Formula
C16H14O2
SMILES
C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H14O2/c17-15(18)14-11-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)
InChIKey
YITOQLBHYDWJBQ-UHFFFAOYSA-N
Compound name
2,2-diphenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

19
Patents

238.09938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.106656 150.4
[M+Na]+ 261.088598 159.3
[M-H]- 237.092104 159.8
[M+NH4]+ 256.133203 164.2
[M+K]+ 277.062538 155.8
[M+H-H2O]+ 221.096640 143.8
[M+HCOO]- 283.097581 172.8
[M+CH3COO]- 297.113231 162.9
[M+Na-2H]- 259.074046 156.7
[M]+ 238.09883142 151.9
[M]- 238.09992858 151.9
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