CID 165591045

2731008-75-4

Structural Information

Molecular Formula
C8H7ClF2O3S
SMILES
COCC1=CC(=C(C(=C1)F)S(=O)(=O)Cl)F
InChI
InChI=1S/C8H7ClF2O3S/c1-14-4-5-2-6(10)8(7(11)3-5)15(9,12)13/h2-3H,4H2,1H3
InChIKey
XMACTZBBXSHYHN-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-(methoxymethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.97725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.984526 142.7
[M+Na]+ 278.966468 154.6
[M-H]- 254.969974 145.1
[M+NH4]+ 274.011073 161.8
[M+K]+ 294.940408 150.1
[M+H-H2O]+ 238.974510 136.9
[M+HCOO]- 300.975451 155.2
[M+CH3COO]- 314.991101 189.6
[M+Na-2H]- 276.951916 145.6
[M]+ 255.97670142 147.7
[M]- 255.97779858 147.7
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.