CID 130116312

2-cyclopropylpyrimidine-5-sulfonylchloride

Structural Information

Molecular Formula
C7H7ClN2O2S
SMILES
C1CC1C2=NC=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClN2O2S/c8-13(11,12)6-3-9-7(10-4-6)5-1-2-5/h3-5H,1-2H2
InChIKey
HEPAUKZGGMOXPN-UHFFFAOYSA-N
Compound name
2-cyclopropylpyrimidine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99167 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99895 143.3
[M+Na]+ 240.98089 155.2
[M-H]- 216.98439 148.5
[M+NH4]+ 236.02549 155.7
[M+K]+ 256.95483 150.1
[M+H-H2O]+ 200.98893 136.5
[M+HCOO]- 262.98987 156.1
[M+CH3COO]- 277.00552 184.1
[M+Na-2H]- 238.96634 148.4
[M]+ 217.99112 149.1
[M]- 217.99222 149.1
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

No patent data available for this compound.