CID 24119

7495-45-6

Structural Information

Molecular Formula
C16H16O3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H16O3/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)
InChIKey
SEUTWLXKEMEBTR-UHFFFAOYSA-N
Compound name
2-ethoxy-2,2-diphenylacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

256.10995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 158.4
[M+Na]+ 279.09917 164.0
[M-H]- 255.10267 163.4
[M+NH4]+ 274.14377 173.9
[M+K]+ 295.07311 160.8
[M+H-H2O]+ 239.10721 151.2
[M+HCOO]- 301.10815 178.9
[M+CH3COO]- 315.12380 191.9
[M+Na-2H]- 277.08462 164.5
[M]+ 256.10940 158.8
[M]- 256.11050 158.8
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