CID 40423993

4,6-dichloro-2-methylindole

Structural Information

Molecular Formula
C9H7Cl2N
SMILES
CC1=CC2=C(N1)C=C(C=C2Cl)Cl
InChI
InChI=1S/C9H7Cl2N/c1-5-2-7-8(11)3-6(10)4-9(7)12-5/h2-4,12H,1H3
InChIKey
UCUSJGONHVYQIE-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

198.99556 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00284 135.6
[M+Na]+ 221.98478 152.1
[M+NH4]+ 217.02938 146.0
[M+K]+ 237.95872 145.1
[M-H]- 197.98828 138.1
[M+Na-2H]- 219.97023 143.2
[M]+ 198.99501 139.4
[M]- 198.99611 139.4
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