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 159.3
[M+Na]+ 297.04012 169.1
[M-H]- 273.04362 163.3
[M+NH4]+ 292.08472 175.8
[M+K]+ 313.01406 163.1
[M+H-H2O]+ 257.04816 151.7
[M+HCOO]- 319.04910 173.6
[M+CH3COO]- 333.06475 171.0
[M+Na-2H]- 295.02557 162.4
[M]+ 274.05035 160.5
[M]- 274.05145 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.