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]+ 275.058176 159.3
[M+Na]+ 297.040118 169.1
[M-H]- 273.043624 163.3
[M+NH4]+ 292.084723 175.8
[M+K]+ 313.014058 163.1
[M+H-H2O]+ 257.048160 151.7
[M+HCOO]- 319.049101 173.6
[M+CH3COO]- 333.064751 171.0
[M+Na-2H]- 295.025566 162.4
[M]+ 274.05035142 160.5
[M]- 274.05144858 160.5
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.