CID 165880667

5-chloro-3-iodo-7-(trifluoromethoxy)-1h-indole

Structural Information

Molecular Formula
C9H4ClF3INO
SMILES
C1=C(C=C(C2=C1C(=CN2)I)OC(F)(F)F)Cl
InChI
InChI=1S/C9H4ClF3INO/c10-4-1-5-6(14)3-15-8(5)7(2-4)16-9(11,12)13/h1-3,15H
InChIKey
ZFEQVUIPIZIGFX-UHFFFAOYSA-N
Compound name
5-chloro-3-iodo-7-(trifluoromethoxy)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.89783 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.90511 147.2
[M+Na]+ 383.88705 153.2
[M-H]- 359.89055 139.7
[M+NH4]+ 378.93165 161.9
[M+K]+ 399.86099 153.0
[M+H-H2O]+ 343.89509 136.7
[M+HCOO]- 405.89603 157.3
[M+CH3COO]- 419.91168 196.5
[M+Na-2H]- 381.87250 141.5
[M]+ 360.89728 145.1
[M]- 360.89838 145.1
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

No patent data available for this compound.