CID 137935416

2248405-43-6

Structural Information

Molecular Formula
C9H7ClF2O2S
SMILES
C1C(C1(F)F)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClF2O2S/c10-15(13,14)7-3-1-2-6(4-7)8-5-9(8,11)12/h1-4,8H,5H2
InChIKey
CIVHVEGEEPBASB-UHFFFAOYSA-N
Compound name
3-(2,2-difluorocyclopropyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.98233 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98961 154.5
[M+Na]+ 274.97155 166.5
[M+NH4]+ 270.01615 163.3
[M+K]+ 290.94549 158.8
[M-H]- 250.97505 160.5
[M+Na-2H]- 272.95700 163.3
[M]+ 251.98178 159.7
[M]- 251.98288 159.7
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.