CID 14421292

4-[(difluoromethyl)sulfanyl]benzaldehyde

Structural Information

Molecular Formula
C8H6F2OS
SMILES
C1=CC(=CC=C1C=O)SC(F)F
InChI
InChI=1S/C8H6F2OS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H
InChIKey
HCOPITURTVPVKB-UHFFFAOYSA-N
Compound name
4-(difluoromethylsulfanyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.01074 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01802 132.1
[M+Na]+ 210.99996 141.0
[M-H]- 187.00346 133.6
[M+NH4]+ 206.04456 152.4
[M+K]+ 226.97390 137.9
[M+H-H2O]+ 171.00800 124.8
[M+HCOO]- 233.00894 148.9
[M+CH3COO]- 247.02459 180.7
[M+Na-2H]- 208.98541 134.5
[M]+ 188.01019 132.1
[M]- 188.01129 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe