CID 52983776

57190-05-3

Structural Information

Molecular Formula
C10H9ClO3S
SMILES
C1CC1C(=O)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClO3S/c11-15(13,14)9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
InChIKey
CFGIAUNBGCWZFU-UHFFFAOYSA-N
Compound name
4-(cyclopropanecarbonyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

243.9961 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.00338 142.7
[M+Na]+ 266.98532 153.2
[M-H]- 242.98882 150.6
[M+NH4]+ 262.02992 156.6
[M+K]+ 282.95926 148.4
[M+H-H2O]+ 226.99336 137.5
[M+HCOO]- 288.99430 156.6
[M+CH3COO]- 303.00995 189.4
[M+Na-2H]- 264.97077 146.5
[M]+ 243.99555 149.4
[M]- 243.99665 149.4
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