CID 64200843

3-[3-(trifluoromethyl)phenoxy]propane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H10ClF3O3S
SMILES
C1=CC(=CC(=C1)OCCCS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C10H10ClF3O3S/c11-18(15,16)6-2-5-17-9-4-1-3-8(7-9)10(12,13)14/h1,3-4,7H,2,5-6H2
InChIKey
JDTXKCWTVCTCMK-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenoxy]propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.9991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00638 156.2
[M+Na]+ 324.98832 166.0
[M-H]- 300.99182 156.5
[M+NH4]+ 320.03292 172.9
[M+K]+ 340.96226 160.9
[M+H-H2O]+ 284.99636 149.0
[M+HCOO]- 346.99730 165.6
[M+CH3COO]- 361.01295 195.7
[M+Na-2H]- 322.97377 159.8
[M]+ 301.99855 159.3
[M]- 301.99965 159.3
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.