CID 104644

7-chloroindole

Structural Information

Molecular Formula
C8H6ClN
SMILES
C1=CC2=C(C(=C1)Cl)NC=C2
InChI
InChI=1S/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKey
WMYQAKANKREQLM-UHFFFAOYSA-N
Compound name
7-chloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1223
Patents

151.01888 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.02616 125.7
[M+Na]+ 174.00810 137.4
[M-H]- 150.01160 128.1
[M+NH4]+ 169.05270 148.9
[M+K]+ 189.98204 132.0
[M+H-H2O]+ 134.01614 120.8
[M+HCOO]- 196.01708 145.2
[M+CH3COO]- 210.03273 140.5
[M+Na-2H]- 171.99355 134.4
[M]+ 151.01833 127.2
[M]- 151.01943 127.2
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