CID 40423993

886362-21-6

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

29
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 137.1
[M+Na]+ 221.98478 150.4
[M-H]- 197.98828 139.2
[M+NH4]+ 217.02938 159.3
[M+K]+ 237.95872 143.4
[M+H-H2O]+ 181.99282 132.9
[M+HCOO]- 243.99376 151.0
[M+CH3COO]- 258.00941 151.3
[M+Na-2H]- 219.97023 142.8
[M]+ 198.99501 140.6
[M]- 198.99611 140.6
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