CID 24229557

4-(pyrimidin-2-yl)benzenesulphonyl chloride

Structural Information

Molecular Formula
C10H7ClN2O2S
SMILES
C1=CN=C(N=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H7ClN2O2S/c11-16(14,15)9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H
InChIKey
BPLYUKDYQDTCTE-UHFFFAOYSA-N
Compound name
4-pyrimidin-2-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

253.99167 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.99895 149.8
[M+Na]+ 276.98089 161.0
[M-H]- 252.98439 154.7
[M+NH4]+ 272.02549 165.5
[M+K]+ 292.95483 155.4
[M+H-H2O]+ 236.98893 142.8
[M+HCOO]- 298.98987 162.5
[M+CH3COO]- 313.00552 186.9
[M+Na-2H]- 274.96634 156.4
[M]+ 253.99112 153.8
[M]- 253.99222 153.8
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