CID 70586

1043-50-1

Structural Information

Molecular Formula
C12F10S
SMILES
C1(=C(C(=C(C(=C1F)F)SC2=C(C(=C(C(=C2F)F)F)F)F)F)F)F
InChI
InChI=1S/C12F10S/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKey
ZOUZMRQINDFFOK-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

212
Patents

365.95612 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.96340 161.4
[M+Na]+ 388.94534 177.7
[M-H]- 364.94884 157.8
[M+NH4]+ 383.98994 175.6
[M+K]+ 404.91928 169.2
[M+H-H2O]+ 348.95338 146.7
[M+HCOO]- 410.95432 169.9
[M+CH3COO]- 424.96997 219.6
[M+Na-2H]- 386.93079 154.7
[M]+ 365.95557 154.1
[M]- 365.95667 154.1
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