CID 43236187

1-[(2-chloroethyl)sulfanyl]-2,4-difluorobenzene

Structural Information

Molecular Formula
C8H7ClF2S
SMILES
C1=CC(=C(C=C1F)F)SCCCl
InChI
InChI=1S/C8H7ClF2S/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2
InChIKey
XOGWOZIDZMUMNF-UHFFFAOYSA-N
Compound name
1-(2-chloroethylsulfanyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.99251 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99979 133.2
[M+Na]+ 230.98173 143.8
[M-H]- 206.98523 134.9
[M+NH4]+ 226.02633 154.1
[M+K]+ 246.95567 138.6
[M+H-H2O]+ 190.98977 127.2
[M+HCOO]- 252.99071 146.2
[M+CH3COO]- 267.00636 183.8
[M+Na-2H]- 228.96718 135.8
[M]+ 207.99196 135.4
[M]- 207.99306 135.4
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