CID 11816062

7-chloro-2-methyl-1h-indole

Structural Information

Molecular Formula
C9H8ClN
SMILES
CC1=CC2=C(N1)C(=CC=C2)Cl
InChI
InChI=1S/C9H8ClN/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5,11H,1H3
InChIKey
YIJQQOHTYWFLQH-UHFFFAOYSA-N
Compound name
7-chloro-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

165.03453 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04181 129.2
[M+Na]+ 188.02375 145.0
[M+NH4]+ 183.06835 139.7
[M+K]+ 203.99769 138.5
[M-H]- 164.02725 131.9
[M+Na-2H]- 186.00920 137.2
[M]+ 165.03398 132.7
[M]- 165.03508 132.7
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