CID 181727

4-phenanthrenecarboxylic 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
2
Annotation Hits

2
References

72
Patents

222.06808 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07536 144.9
[M+Na]+ 245.05730 154.8
[M-H]- 221.06080 149.7
[M+NH4]+ 240.10190 164.7
[M+K]+ 261.03124 149.9
[M+H-H2O]+ 205.06534 138.5
[M+HCOO]- 267.06628 166.6
[M+CH3COO]- 281.08193 158.3
[M+Na-2H]- 243.04275 154.2
[M]+ 222.06753 146.2
[M]- 222.06863 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