CID 3077878

Brn 4754877

Structural Information

Molecular Formula
C14H11ClN2O2
SMILES
C1CC2=C(C=C1N3C=CN=C3)C=C(C=C2Cl)C(=O)O
InChI
InChI=1S/C14H11ClN2O2/c15-13-7-10(14(18)19)5-9-6-11(1-2-12(9)13)17-4-3-16-8-17/h3-8H,1-2H2,(H,18,19)
InChIKey
LDSIOXLOEUNQLK-UHFFFAOYSA-N
Compound name
4-chloro-7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05818 158.7
[M+Na]+ 297.04012 173.5
[M+NH4]+ 292.08472 167.0
[M+K]+ 313.01406 168.0
[M-H]- 273.04362 161.5
[M+Na-2H]- 295.02557 165.6
[M]+ 274.05035 161.8
[M]- 274.05145 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.