CID 181727

Phenanthrene-4-carboxylic acid

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)C(=O)O
InChI
InChI=1S/C15H10O2/c16-15(17)13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H,(H,16,17)
InChIKey
HHZVGTSZLAQRSM-UHFFFAOYSA-N
Compound name
phenanthrene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

95
Patents

222.06808 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.075356 144.9
[M+Na]+ 245.057298 154.8
[M-H]- 221.060804 149.7
[M+NH4]+ 240.101903 164.7
[M+K]+ 261.031238 149.9
[M+H-H2O]+ 205.065340 138.5
[M+HCOO]- 267.066281 166.6
[M+CH3COO]- 281.081931 158.3
[M+Na-2H]- 243.042746 154.2
[M]+ 222.06753142 146.2
[M]- 222.06862858 146.2
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