CID 72942870

1-phenylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H9ClO2S
SMILES
C1CC1(C2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO2S/c10-13(11,12)9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
LYYCQAQCTDHPOK-UHFFFAOYSA-N
Compound name
1-phenylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.00117 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00845 137.6
[M+Na]+ 238.99039 148.4
[M-H]- 214.99389 145.5
[M+NH4]+ 234.03499 154.4
[M+K]+ 254.96433 144.8
[M+H-H2O]+ 198.99843 133.3
[M+HCOO]- 260.99937 152.1
[M+CH3COO]- 275.01502 183.2
[M+Na-2H]- 236.97584 144.6
[M]+ 216.00062 143.7
[M]- 216.00172 143.7
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

patents stripe