CID 62105168

5-fluoro-2-(propan-2-yloxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H10ClFO3S
SMILES
CC(C)OC1=C(C=C(C=C1)F)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClFO3S/c1-6(2)14-8-4-3-7(11)5-9(8)15(10,12)13/h3-6H,1-2H3
InChIKey
CXPQORTYFWWSDZ-UHFFFAOYSA-N
Compound name
5-fluoro-2-propan-2-yloxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00232 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00960 145.4
[M+Na]+ 274.99154 155.7
[M-H]- 250.99504 148.8
[M+NH4]+ 270.03614 164.3
[M+K]+ 290.96548 151.8
[M+H-H2O]+ 234.99958 140.3
[M+HCOO]- 297.00052 157.6
[M+CH3COO]- 311.01617 189.5
[M+Na-2H]- 272.97699 147.9
[M]+ 252.00177 150.9
[M]- 252.00287 150.9
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.