CID 22934861

Methyl 5-chloro-4-fluoro-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C10H7ClFNO2
SMILES
COC(=O)C1=CC2=C(N1)C=CC(=C2F)Cl
InChI
InChI=1S/C10H7ClFNO2/c1-15-10(14)8-4-5-7(13-8)3-2-6(11)9(5)12/h2-4,13H,1H3
InChIKey
ZDXBWSKTLNCEQM-UHFFFAOYSA-N
Compound name
methyl 5-chloro-4-fluoro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

227.01494 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02222 142.1
[M+Na]+ 250.00416 154.6
[M-H]- 226.00766 143.8
[M+NH4]+ 245.04876 162.7
[M+K]+ 265.97810 149.3
[M+H-H2O]+ 210.01220 136.3
[M+HCOO]- 272.01314 159.6
[M+CH3COO]- 286.02879 184.8
[M+Na-2H]- 247.98961 146.6
[M]+ 227.01439 145.6
[M]- 227.01549 145.6
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

patents stripe