CID 23373098

4-chloro-5-methoxy-1h-indole

Structural Information

Molecular Formula
C9H8ClNO
SMILES
COC1=C(C2=C(C=C1)NC=C2)Cl
InChI
InChI=1S/C9H8ClNO/c1-12-8-3-2-7-6(9(8)10)4-5-11-7/h2-5,11H,1H3
InChIKey
LQWRYYUMZJGPDF-UHFFFAOYSA-N
Compound name
4-chloro-5-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

181.02943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 133.3
[M+Na]+ 204.01865 145.5
[M-H]- 180.02215 136.1
[M+NH4]+ 199.06325 155.7
[M+K]+ 219.99259 140.3
[M+H-H2O]+ 164.02669 128.4
[M+HCOO]- 226.02763 152.8
[M+CH3COO]- 240.04328 148.0
[M+Na-2H]- 202.00410 140.8
[M]+ 181.02888 137.0
[M]- 181.02998 137.0
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