CID 137935920

2253631-55-7

Structural Information

Molecular Formula
C10H11ClF2O2S
SMILES
C1=CC=C(C=C1)C(CC(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C10H11ClF2O2S/c11-16(14,15)7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
UYSYEMGLAFKFBU-UHFFFAOYSA-N
Compound name
4,4-difluoro-2-phenylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.01364 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02092 149.8
[M+Na]+ 291.00286 157.8
[M-H]- 267.00636 150.9
[M+NH4]+ 286.04746 167.4
[M+K]+ 306.97680 153.1
[M+H-H2O]+ 251.01090 143.3
[M+HCOO]- 313.01184 159.4
[M+CH3COO]- 327.02749 191.7
[M+Na-2H]- 288.98831 151.3
[M]+ 268.01309 151.8
[M]- 268.01419 151.8
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.