CID 611845

1,2,3,4,5-pentafluoro-6-(methylsulfanyl)benzene

Structural Information

Molecular Formula
C7H3F5S
SMILES
CSC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C7H3F5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKey
NBOZXHXBHUVRNG-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluoro-6-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

213.98756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99484 129.2
[M+Na]+ 236.97678 142.1
[M-H]- 212.98028 128.0
[M+NH4]+ 232.02138 149.4
[M+K]+ 252.95072 137.7
[M+H-H2O]+ 196.98482 120.1
[M+HCOO]- 258.98576 143.5
[M+CH3COO]- 273.00141 189.0
[M+Na-2H]- 234.96223 128.9
[M]+ 213.98701 126.6
[M]- 213.98811 126.6
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