CID 18072530

3-(cyclopropylcarbamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
C1CC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H10ClNO3S/c11-16(14,15)9-3-1-2-7(6-9)10(13)12-8-4-5-8/h1-3,6,8H,4-5H2,(H,12,13)
InChIKey
SSINZHMPWHVPHC-UHFFFAOYSA-N
Compound name
3-(cyclopropylcarbamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.007 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.014276 146.3
[M+Na]+ 281.996218 155.9
[M-H]- 257.999724 154.0
[M+NH4]+ 277.040823 159.3
[M+K]+ 297.970158 150.8
[M+H-H2O]+ 242.004260 140.9
[M+HCOO]- 304.005201 161.1
[M+CH3COO]- 318.020851 193.4
[M+Na-2H]- 279.981666 150.7
[M]+ 259.00645142 152.3
[M]- 259.00754858 152.3
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

patents stripe