CID 84708899

1780540-93-3

Structural Information

Molecular Formula
C8H7ClF2O3S
SMILES
COC1=C(C=C(C=C1)C(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClF2O3S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4,8H,1H3
InChIKey
CCCKJOQHYVOEJO-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-2-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.97725 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.98453 142.7
[M+Na]+ 278.96647 153.5
[M-H]- 254.96997 144.9
[M+NH4]+ 274.01107 161.4
[M+K]+ 294.94041 149.4
[M+H-H2O]+ 238.97451 136.9
[M+HCOO]- 300.97545 154.3
[M+CH3COO]- 314.99110 189.3
[M+Na-2H]- 276.95192 145.3
[M]+ 255.97670 146.8
[M]- 255.97780 146.8
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.