CID 71665010

1379811-84-3

Structural Information

Molecular Formula
C8H6F5NS
SMILES
C1=CC(=CC2=C1C=CN2)S(F)(F)(F)(F)F
InChI
InChI=1S/C8H6F5NS/c9-15(10,11,12,13)7-2-1-6-3-4-14-8(6)5-7/h1-5,14H
InChIKey
MSRZWPKNTUYVGM-UHFFFAOYSA-N
Compound name
pentafluoro(1H-indol-6-yl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

243.01411 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02139 132.4
[M+Na]+ 266.00333 145.5
[M-H]- 242.00683 129.5
[M+NH4]+ 261.04793 152.2
[M+K]+ 281.97727 139.6
[M+H-H2O]+ 226.01137 124.1
[M+HCOO]- 288.01231 145.5
[M+CH3COO]- 302.02796 145.2
[M+Na-2H]- 263.98878 134.7
[M]+ 243.01356 128.7
[M]- 243.01466 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe