CID 217668

6-chlorophenanthridine-3-carboxylic acid methyl ester

Structural Information

Molecular Formula
C15H10ClNO2
SMILES
COC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C(=N2)Cl
InChI
InChI=1S/C15H10ClNO2/c1-19-15(18)9-6-7-11-10-4-2-3-5-12(10)14(16)17-13(11)8-9/h2-8H,1H3
InChIKey
LZUMLGDTBFOVPA-UHFFFAOYSA-N
Compound name
methyl 6-chlorophenanthridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04728 155.8
[M+Na]+ 294.02922 167.9
[M-H]- 270.03272 160.6
[M+NH4]+ 289.07382 174.2
[M+K]+ 310.00316 162.1
[M+H-H2O]+ 254.03726 148.8
[M+HCOO]- 316.03820 173.1
[M+CH3COO]- 330.05385 169.1
[M+Na-2H]- 292.01467 164.4
[M]+ 271.03945 162.0
[M]- 271.04055 162.0
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.