CID 118140831

2-chloro-1-(5-chloro-1h-indol-2-yl)ethan-1-one

Structural Information

Molecular Formula
C10H7Cl2NO
SMILES
C1=CC2=C(C=C1Cl)C=C(N2)C(=O)CCl
InChI
InChI=1S/C10H7Cl2NO/c11-5-10(14)9-4-6-3-7(12)1-2-8(6)13-9/h1-4,13H,5H2
InChIKey
ZQBAZIHPFUEWPX-UHFFFAOYSA-N
Compound name
2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.99046 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.99774 143.8
[M+Na]+ 249.97968 155.7
[M-H]- 225.98318 145.7
[M+NH4]+ 245.02428 164.4
[M+K]+ 265.95362 148.8
[M+H-H2O]+ 209.98772 139.2
[M+HCOO]- 271.98866 156.9
[M+CH3COO]- 286.00431 157.0
[M+Na-2H]- 247.96513 148.6
[M]+ 226.98991 147.5
[M]- 226.99101 147.5
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