CID 14674272

1-(chloromethyl)-4-[(difluoromethyl)sulfanyl]benzene

Structural Information

Molecular Formula
C8H7ClF2S
SMILES
C1=CC(=CC=C1CCl)SC(F)F
InChI
InChI=1S/C8H7ClF2S/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2
InChIKey
FQMSVRJKZVGTOO-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.99251 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99979 133.8
[M+Na]+ 230.98173 143.2
[M-H]- 206.98523 135.2
[M+NH4]+ 226.02633 154.3
[M+K]+ 246.95567 138.4
[M+H-H2O]+ 190.98977 127.7
[M+HCOO]- 252.99071 145.7
[M+CH3COO]- 267.00636 183.5
[M+Na-2H]- 228.96718 135.9
[M]+ 207.99196 135.0
[M]- 207.99306 135.0
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

No patent data available for this compound.