CID 62084551

[4-(methylcarbamoyl)phenyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
CNC(=O)C1=CC=C(C=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C9H10ClNO3S/c1-11-9(12)8-4-2-7(3-5-8)6-15(10,13)14/h2-5H,6H2,1H3,(H,11,12)
InChIKey
IOWWBWLSFVRSHU-UHFFFAOYSA-N
Compound name
[4-(methylcarbamoyl)phenyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.00699 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.014266 148.7
[M+Na]+ 269.996208 157.6
[M-H]- 245.999714 153.0
[M+NH4]+ 265.040813 167.2
[M+K]+ 285.970148 153.3
[M+H-H2O]+ 230.004250 144.0
[M+HCOO]- 292.005191 163.1
[M+CH3COO]- 306.020841 189.0
[M+Na-2H]- 267.981656 152.7
[M]+ 247.00644142 153.3
[M]- 247.00753858 153.3
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.