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]+ 189.018016 132.1
[M+Na]+ 210.999958 141.0
[M-H]- 187.003464 133.6
[M+NH4]+ 206.044563 152.4
[M+K]+ 226.973898 137.9
[M+H-H2O]+ 171.008000 124.8
[M+HCOO]- 233.008941 148.9
[M+CH3COO]- 247.024591 180.7
[M+Na-2H]- 208.985406 134.5
[M]+ 188.01019142 132.1
[M]- 188.01128858 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