CID 132327682

(4-cyano-2,6-dimethylphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C10H10ClNO2S
SMILES
CC1=CC(=CC(=C1CS(=O)(=O)Cl)C)C#N
InChI
InChI=1S/C10H10ClNO2S/c1-7-3-9(5-12)4-8(2)10(7)6-15(11,13)14/h3-4H,6H2,1-2H3
InChIKey
OSEQVBQHJHRKRL-UHFFFAOYSA-N
Compound name
(4-cyano-2,6-dimethylphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.01208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01936 155.4
[M+Na]+ 266.00130 168.5
[M-H]- 242.00480 160.6
[M+NH4]+ 261.04590 173.4
[M+K]+ 281.97524 163.8
[M+H-H2O]+ 226.00934 145.0
[M+HCOO]- 288.01028 166.4
[M+CH3COO]- 302.02593 200.7
[M+Na-2H]- 263.98675 157.6
[M]+ 243.01153 156.2
[M]- 243.01263 156.2
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.