CID 137944257

2287274-88-6

Structural Information

Molecular Formula
C9H7ClF2O2S
SMILES
C1C(C1(F)F)C2=CC=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClF2O2S/c10-15(13,14)8-4-2-1-3-6(8)7-5-9(7,11)12/h1-4,7H,5H2
InChIKey
OVMQOTHXIGBUAL-UHFFFAOYSA-N
Compound name
2-(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 136.9
[M+Na]+ 274.97155 149.2
[M-H]- 250.97505 142.6
[M+NH4]+ 270.01615 152.6
[M+K]+ 290.94549 144.6
[M+H-H2O]+ 234.97959 131.0
[M+HCOO]- 296.98053 149.2
[M+CH3COO]- 310.99618 190.4
[M+Na-2H]- 272.95700 142.0
[M]+ 251.98178 141.8
[M]- 251.98288 141.8
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.