CID 296340

4-chlorophenyl 2-chloro-1,1,2-trifluoroethyl sulfide

Structural Information

Molecular Formula
C8H5Cl2F3S
SMILES
C1=CC(=CC=C1SC(C(F)Cl)(F)F)Cl
InChI
InChI=1S/C8H5Cl2F3S/c9-5-1-3-6(4-2-5)14-8(12,13)7(10)11/h1-4,7H
InChIKey
VQSRHBSKMJDEFM-UHFFFAOYSA-N
Compound name
1-chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.94412 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.95140 140.6
[M+Na]+ 282.93334 150.5
[M-H]- 258.93684 140.4
[M+NH4]+ 277.97794 159.3
[M+K]+ 298.90728 144.4
[M+H-H2O]+ 242.94138 134.6
[M+HCOO]- 304.94232 145.1
[M+CH3COO]- 318.95797 191.2
[M+Na-2H]- 280.91879 142.3
[M]+ 259.94357 141.2
[M]- 259.94467 141.2
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