CID 71755831

3-(dimethylamino)-4-methylbenzene-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)Cl)N(C)C
InChI
InChI=1S/C9H12ClNO2S/c1-7-4-5-8(14(10,12)13)6-9(7)11(2)3/h4-6H,1-3H3
InChIKey
HIFVMKHXZABUSN-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

233.02773 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03501 149.2
[M+Na]+ 256.01695 161.7
[M+NH4]+ 251.06155 157.7
[M+K]+ 271.99089 154.0
[M-H]- 232.02045 151.2
[M+Na-2H]- 254.00240 155.2
[M]+ 233.02718 152.3
[M]- 233.02828 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.