CID 22497252

1-(6-chloro-3-indolyl)-2,2,2-trifluoroethanone

Structural Information

Molecular Formula
C10H5ClF3NO
SMILES
C1=CC2=C(C=C1Cl)NC=C2C(=O)C(F)(F)F
InChI
InChI=1S/C10H5ClF3NO/c11-5-1-2-6-7(4-15-8(6)3-5)9(16)10(12,13)14/h1-4,15H
InChIKey
DOCNWGLGOYLWRC-UHFFFAOYSA-N
Compound name
1-(6-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

247.00117 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00845 144.6
[M+Na]+ 269.99039 156.9
[M-H]- 245.99389 143.6
[M+NH4]+ 265.03499 164.1
[M+K]+ 285.96433 150.5
[M+H-H2O]+ 229.99843 137.4
[M+HCOO]- 291.99937 158.2
[M+CH3COO]- 306.01502 187.4
[M+Na-2H]- 267.97584 149.5
[M]+ 247.00062 143.6
[M]- 247.00172 143.6
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