CID 84690707

2,6-difluoro-4-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClF2O2S
SMILES
CC1=CC(=C(C(=C1)F)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H5ClF2O2S/c1-4-2-5(9)7(6(10)3-4)13(8,11)12/h2-3H,1H3
InChIKey
ADFJGRNPJCTYIZ-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.96669 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97397 134.8
[M+Na]+ 248.95591 147.3
[M-H]- 224.95941 137.4
[M+NH4]+ 244.00051 155.1
[M+K]+ 264.92985 142.5
[M+H-H2O]+ 208.96395 129.5
[M+HCOO]- 270.96489 147.4
[M+CH3COO]- 284.98054 184.6
[M+Na-2H]- 246.94136 138.0
[M]+ 225.96614 138.0
[M]- 225.96724 138.0
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

patents stripe