CID 50998420

1162257-28-4

Structural Information

Molecular Formula
C7H5ClF2O3S
SMILES
COC1=C(C=CC(=C1S(=O)(=O)Cl)F)F
InChI
InChI=1S/C7H5ClF2O3S/c1-13-6-4(9)2-3-5(10)7(6)14(8,11)12/h2-3H,1H3
InChIKey
BNOQGPFQFWAFMU-UHFFFAOYSA-N
Compound name
3,6-difluoro-2-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 146.0
[M+Na]+ 264.95082 157.4
[M+NH4]+ 259.99542 152.6
[M+K]+ 280.92476 150.4
[M-H]- 240.95432 143.9
[M+Na-2H]- 262.93627 150.2
[M]+ 241.96105 147.6
[M]- 241.96215 147.6
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.