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

2
Patents

259.007 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01428 146.3
[M+Na]+ 281.99622 155.9
[M-H]- 257.99972 154.0
[M+NH4]+ 277.04082 159.3
[M+K]+ 297.97016 150.8
[M+H-H2O]+ 242.00426 140.9
[M+HCOO]- 304.00520 161.1
[M+CH3COO]- 318.02085 193.4
[M+Na-2H]- 279.98167 150.7
[M]+ 259.00645 152.3
[M]- 259.00755 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