CID 50998424

2,3-difluoro-6-methoxybenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H5ClF2O3S
SMILES
COC1=C(C(=C(C=C1)F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClF2O3S/c1-13-5-3-2-4(9)6(10)7(5)14(8,11)12/h2-3H,1H3
InChIKey
FMNCPVYTIOLWAQ-UHFFFAOYSA-N
Compound name
2,3-difluoro-6-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.9616 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.96888 138.1
[M+Na]+ 264.95082 150.4
[M-H]- 240.95432 140.7
[M+NH4]+ 259.99542 157.7
[M+K]+ 280.92476 146.1
[M+H-H2O]+ 224.95886 132.5
[M+HCOO]- 286.95980 150.9
[M+CH3COO]- 300.97545 186.6
[M+Na-2H]- 262.93627 141.5
[M]+ 241.96105 142.7
[M]- 241.96215 142.7
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.