CID 17024730

1-methyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C4H5ClN2O2S
SMILES
CN1C=C(C=N1)S(=O)(=O)Cl
InChI
InChI=1S/C4H5ClN2O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3
InChIKey
RDAVKKQKMLINOH-UHFFFAOYSA-N
Compound name
1-methylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1011
Patents

179.97603 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.98331 131.9
[M+Na]+ 202.96525 144.1
[M-H]- 178.96875 134.3
[M+NH4]+ 198.00985 152.9
[M+K]+ 218.93919 141.1
[M+H-H2O]+ 162.97329 127.0
[M+HCOO]- 224.97423 145.6
[M+CH3COO]- 238.98988 173.3
[M+Na-2H]- 200.95070 136.0
[M]+ 179.97548 136.8
[M]- 179.97658 136.8
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