CID 60911764

1-(cyclopropylmethyl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H9ClN2O2S
SMILES
C1CC1CN2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C7H9ClN2O2S/c8-13(11,12)7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKey
MWJUSOZDDOOTPT-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.00732 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.014596 145.2
[M+Na]+ 242.996538 157.3
[M-H]- 219.000044 150.6
[M+NH4]+ 238.041143 159.4
[M+K]+ 258.970478 152.3
[M+H-H2O]+ 203.004580 138.9
[M+HCOO]- 265.005521 158.5
[M+CH3COO]- 279.021171 184.1
[M+Na-2H]- 240.981986 147.9
[M]+ 220.00677142 151.8
[M]- 220.00786858 151.8
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