CID 165591045

2,6-difluoro-4-(methoxymethyl)benzene-1-sulfonylchloride

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]+ 256.98453 142.7
[M+Na]+ 278.96647 154.6
[M-H]- 254.96997 145.1
[M+NH4]+ 274.01107 161.8
[M+K]+ 294.94041 150.1
[M+H-H2O]+ 238.97451 136.9
[M+HCOO]- 300.97545 155.2
[M+CH3COO]- 314.99110 189.6
[M+Na-2H]- 276.95192 145.6
[M]+ 255.97670 147.7
[M]- 255.97780 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.