CID 131449573

3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H12ClFO3S
SMILES
COC(CC1=CC=C(C=C1)F)CS(=O)(=O)Cl
InChI
InChI=1S/C10H12ClFO3S/c1-15-10(7-16(11,13)14)6-8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3
InChIKey
XXLKLAKSJYMHKV-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-methoxypropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01797 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02525 150.9
[M+Na]+ 289.00719 160.0
[M-H]- 265.01069 153.8
[M+NH4]+ 284.05179 169.0
[M+K]+ 304.98113 155.8
[M+H-H2O]+ 249.01523 145.4
[M+HCOO]- 311.01617 162.9
[M+CH3COO]- 325.03182 191.3
[M+Na-2H]- 286.99264 153.5
[M]+ 266.01742 156.4
[M]- 266.01852 156.4
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

No patent data available for this compound.