CID 4715032

Methyl 6-chloro-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
COC(=O)C1=CC2=C(N1)C=C(C=C2)Cl
InChI
InChI=1S/C10H8ClNO2/c1-14-10(13)9-4-6-2-3-7(11)5-8(6)12-9/h2-5,12H,1H3
InChIKey
HHDCCGVOJXWGEU-UHFFFAOYSA-N
Compound name
methyl 6-chloro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

209.02435 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 140.4
[M+Na]+ 232.01357 152.0
[M-H]- 208.01707 143.2
[M+NH4]+ 227.05817 161.5
[M+K]+ 247.98751 147.1
[M+H-H2O]+ 192.02161 135.4
[M+HCOO]- 254.02255 159.0
[M+CH3COO]- 268.03820 181.0
[M+Na-2H]- 229.99902 146.2
[M]+ 209.02380 144.6
[M]- 209.02490 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe