CID 132327948

Rac-[(1r,3s)-2,2-difluoro-3-phenylcyclopropyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C10H9ClF2O2S
SMILES
C1=CC=C(C=C1)[C@H]2[C@@H](C2(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C10H9ClF2O2S/c11-16(14,15)6-8-9(10(8,12)13)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9-/m0/s1
InChIKey
JOMINIYUUYIZLT-IUCAKERBSA-N
Compound name
[(1S,3R)-2,2-difluoro-3-phenylcyclopropyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.998 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00528 141.1
[M+Na]+ 288.98722 152.9
[M-H]- 264.99072 146.6
[M+NH4]+ 284.03182 156.2
[M+K]+ 304.96116 148.1
[M+H-H2O]+ 248.99526 135.0
[M+HCOO]- 310.99620 153.1
[M+CH3COO]- 325.01185 193.3
[M+Na-2H]- 286.97267 145.7
[M]+ 265.99745 146.3
[M]- 265.99855 146.3
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.