CID 21071529

6-chloro-5-methoxy-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
COC1=C(C=C2C(=C1)C(=CN2)C=O)Cl
InChI
InChI=1S/C10H8ClNO2/c1-14-10-2-7-6(5-13)4-12-9(7)3-8(10)11/h2-5,12H,1H3
InChIKey
SHXXLOIGTOKQAY-UHFFFAOYSA-N
Compound name
6-chloro-5-methoxy-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

209.02435 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 139.8
[M+Na]+ 232.013568 152.6
[M-H]- 208.017074 142.8
[M+NH4]+ 227.058173 161.2
[M+K]+ 247.987508 147.2
[M+H-H2O]+ 192.021610 134.9
[M+HCOO]- 254.022551 159.4
[M+CH3COO]- 268.038201 181.9
[M+Na-2H]- 229.999016 146.1
[M]+ 209.02380142 145.0
[M]- 209.02489858 145.0
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

patents stripe