CID 24728828

Methyl 4-chloro-1h-indole-6-carboxylate

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
COC(=O)C1=CC2=C(C=CN2)C(=C1)Cl
InChI
InChI=1S/C10H8ClNO2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,1H3
InChIKey
JUXKOXNZVJDRIQ-UHFFFAOYSA-N
Compound name
methyl 4-chloro-1H-indole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

209.02435 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe