CID 42614801

1-methyl-1h-indazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H7ClN2O2S
SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)Cl)C=N1
InChI
InChI=1S/C8H7ClN2O2S/c1-11-8-3-2-7(14(9,12)13)4-6(8)5-10-11/h2-5H,1H3
InChIKey
FDVGNMDRXLULKX-UHFFFAOYSA-N
Compound name
1-methylindazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

229.99167 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99895 144.7
[M+Na]+ 252.98089 158.7
[M-H]- 228.98439 148.4
[M+NH4]+ 248.02549 165.1
[M+K]+ 268.95483 154.0
[M+H-H2O]+ 212.98893 139.8
[M+HCOO]- 274.98987 158.6
[M+CH3COO]- 289.00552 183.5
[M+Na-2H]- 250.96634 150.4
[M]+ 229.99112 152.2
[M]- 229.99222 152.2
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