CID 82374075

6-(trifluoromethyl)-1h-indole-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H5ClF3NO2S
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC=C2S(=O)(=O)Cl
InChI
InChI=1S/C9H5ClF3NO2S/c10-17(15,16)8-4-14-7-3-5(9(11,12)13)1-2-6(7)8/h1-4,14H
InChIKey
NEAJYBDUZVFIBN-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-1H-indole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

282.96817 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.97545 151.8
[M+Na]+ 305.95739 165.2
[M-H]- 281.96089 151.4
[M+NH4]+ 301.00199 170.5
[M+K]+ 321.93133 158.6
[M+H-H2O]+ 265.96543 145.4
[M+HCOO]- 327.96637 160.5
[M+CH3COO]- 341.98202 189.1
[M+Na-2H]- 303.94284 156.4
[M]+ 282.96762 153.6
[M]- 282.96872 153.6
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