CID 14708150

24933-64-0

Structural Information

Molecular Formula
C7H6F2OS
SMILES
C1=CC=C(C=C1)S(=O)C(F)F
InChI
InChI=1S/C7H6F2OS/c8-7(9)11(10)6-4-2-1-3-5-6/h1-5,7H
InChIKey
YBHMZIHCSWLJMX-UHFFFAOYSA-N
Compound name
difluoromethylsulfinylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

176.01074 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.01802 128.8
[M+Na]+ 198.99996 137.0
[M-H]- 175.00346 130.2
[M+NH4]+ 194.04456 149.3
[M+K]+ 214.97390 134.6
[M+H-H2O]+ 159.00800 121.6
[M+HCOO]- 221.00894 145.0
[M+CH3COO]- 235.02459 177.6
[M+Na-2H]- 196.98541 131.2
[M]+ 176.01019 127.5
[M]- 176.01129 127.5
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