CID 50987638

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

Structural Information

Molecular Formula
C4H5ClN2O2S
SMILES
CC1=C(C=NN1)S(=O)(=O)Cl
InChI
InChI=1S/C4H5ClN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKey
HAIPHBVEKLIHCB-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

179.97603 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.98331 132.5
[M+Na]+ 202.96525 144.2
[M-H]- 178.96875 133.4
[M+NH4]+ 198.00985 152.7
[M+K]+ 218.93919 140.2
[M+H-H2O]+ 162.97329 127.8
[M+HCOO]- 224.97423 144.6
[M+CH3COO]- 238.98988 170.7
[M+Na-2H]- 200.95070 136.1
[M]+ 179.97548 135.5
[M]- 179.97658 135.5
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