CID 11557371

{[(difluoromethyl)sulfanyl]methyl}benzene

Structural Information

Molecular Formula
C8H8F2S
SMILES
C1=CC=C(C=C1)CSC(F)F
InChI
InChI=1S/C8H8F2S/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
QMOWRNGLGDZHAF-UHFFFAOYSA-N
Compound name
difluoromethylsulfanylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

174.03148 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03876 130.0
[M+Na]+ 197.02070 137.8
[M-H]- 173.02420 131.1
[M+NH4]+ 192.06530 150.7
[M+K]+ 212.99464 134.9
[M+H-H2O]+ 157.02874 122.6
[M+HCOO]- 219.02968 146.4
[M+CH3COO]- 233.04533 178.7
[M+Na-2H]- 195.00615 133.0
[M]+ 174.03093 128.8
[M]- 174.03203 128.8
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