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]+ 231.02411 145.7
[M+Na]+ 253.00605 155.7
[M-H]- 229.00955 150.0
[M+NH4]+ 248.05065 165.5
[M+K]+ 268.97999 150.3
[M+H-H2O]+ 213.01409 141.4
[M+HCOO]- 275.01503 159.6
[M+CH3COO]- 289.03068 184.3
[M+Na-2H]- 250.99150 149.6
[M]+ 230.01628 150.6
[M]- 230.01738 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.