CID 22910447

2-fluoro-6-(trifluoromethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H3ClF4O3S
SMILES
C1=CC(=C(C(=C1)F)S(=O)(=O)Cl)OC(F)(F)F
InChI
InChI=1S/C7H3ClF4O3S/c8-16(13,14)6-4(9)2-1-3-5(6)15-7(10,11)12/h1-3H
InChIKey
ACNCKTJIYWQCCP-UHFFFAOYSA-N
Compound name
2-fluoro-6-(trifluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

277.94275 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95003 143.7
[M+Na]+ 300.93197 155.6
[M-H]- 276.93547 143.4
[M+NH4]+ 295.97657 161.4
[M+K]+ 316.90591 150.9
[M+H-H2O]+ 260.94001 136.3
[M+HCOO]- 322.94095 152.9
[M+CH3COO]- 336.95660 190.8
[M+Na-2H]- 298.91742 147.6
[M]+ 277.94220 144.9
[M]- 277.94330 144.9
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

patents stripe