CID 170289

40232-93-7

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C(=O)O)O
InChI
InChI=1S/C14H12O4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13,15-16H,(H,17,18)
InChIKey
SCBGJZIOPNAEMH-UHFFFAOYSA-N
Compound name
2,2-bis(4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1919
Patents

244.07356 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 152.4
[M+Na]+ 267.06278 158.9
[M-H]- 243.06628 155.5
[M+NH4]+ 262.10738 167.3
[M+K]+ 283.03672 155.3
[M+H-H2O]+ 227.07082 145.8
[M+HCOO]- 289.07176 171.3
[M+CH3COO]- 303.08741 186.2
[M+Na-2H]- 265.04823 155.2
[M]+ 244.07301 150.5
[M]- 244.07411 150.5
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