CID 6287825

Nsc342035

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/C=C/CCl
InChI
InChI=1S/C10H11ClO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,7H2,1H3/b8-2+
InChIKey
YTGSPMWGLGNDRI-KRXBUXKQSA-N
Compound name
1-[(E)-3-chloroprop-1-enyl]sulfonyl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.024106 145.7
[M+Na]+ 253.006048 155.7
[M-H]- 229.009554 150.0
[M+NH4]+ 248.050653 165.5
[M+K]+ 268.979988 150.3
[M+H-H2O]+ 213.014090 141.4
[M+HCOO]- 275.015031 159.6
[M+CH3COO]- 289.030681 184.3
[M+Na-2H]- 250.991496 149.6
[M]+ 230.01628142 150.6
[M]- 230.01737858 150.6
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.