CID 65481296

[1-(cyanomethyl)cyclopropyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C6H8ClNO2S
SMILES
C1CC1(CC#N)CS(=O)(=O)Cl
InChI
InChI=1S/C6H8ClNO2S/c7-11(9,10)5-6(1-2-6)3-4-8/h1-3,5H2
InChIKey
QPSNHBXTQMXSJY-UHFFFAOYSA-N
Compound name
[1-(cyanomethyl)cyclopropyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

192.99643 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.00371 136.4
[M+Na]+ 215.98565 153.0
[M-H]- 191.98915 143.7
[M+NH4]+ 211.03025 154.5
[M+K]+ 231.95959 147.0
[M+H-H2O]+ 175.99369 129.6
[M+HCOO]- 237.99463 149.1
[M+CH3COO]- 252.01028 192.2
[M+Na-2H]- 213.97110 143.6
[M]+ 192.99588 140.2
[M]- 192.99698 140.2
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