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

10
Patents

220.00732 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01460 149.9
[M+Na]+ 242.99654 162.7
[M+NH4]+ 238.04114 158.0
[M+K]+ 258.97048 158.2
[M-H]- 219.00004 157.0
[M+Na-2H]- 240.98199 157.1
[M]+ 220.00677 155.4
[M]- 220.00787 155.4
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