CID 55279021

4-(1-cyanocyclopropyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
C1CC1(C#N)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H8ClNO2S/c11-15(13,14)9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
InChIKey
NRKKLJXDCGDPOC-UHFFFAOYSA-N
Compound name
4-(1-cyanocyclopropyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

240.99643 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.003706 150.1
[M+Na]+ 263.985648 167.8
[M-H]- 239.989154 159.7
[M+NH4]+ 259.030253 166.5
[M+K]+ 279.959588 159.9
[M+H-H2O]+ 223.993690 142.4
[M+HCOO]- 285.994631 163.3
[M+CH3COO]- 300.010281 199.4
[M+Na-2H]- 261.971096 157.0
[M]+ 240.99588142 153.4
[M]- 240.99697858 153.4
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