CID 79980913

(4-cyclopropylphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
C1CC1C2=CC=C(C=C2)CS(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO2S/c11-14(12,13)7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-7H2
InChIKey
ACXMSQQWIKYWTM-UHFFFAOYSA-N
Compound name
(4-cyclopropylphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.01683 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.024106 140.6
[M+Na]+ 253.006048 151.3
[M-H]- 229.009554 148.4
[M+NH4]+ 248.050653 155.3
[M+K]+ 268.979988 146.4
[M+H-H2O]+ 213.014090 135.2
[M+HCOO]- 275.015031 155.1
[M+CH3COO]- 289.030681 187.5
[M+Na-2H]- 250.991496 145.3
[M]+ 230.01628142 147.1
[M]- 230.01737858 147.1
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