CID 165453295

[1-(cyanomethyl)cyclopropyl]methanesulfonyl fluoride

Structural Information

Molecular Formula
C6H8FNO2S
SMILES
C1CC1(CC#N)CS(=O)(=O)F
InChI
InChI=1S/C6H8FNO2S/c7-11(9,10)5-6(1-2-6)3-4-8/h1-3,5H2
InChIKey
XWCUZDDATWZTGJ-UHFFFAOYSA-N
Compound name
[1-(cyanomethyl)cyclopropyl]methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.02597 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03325 133.2
[M+Na]+ 200.01519 149.2
[M-H]- 176.01869 139.3
[M+NH4]+ 195.05979 151.0
[M+K]+ 215.98913 144.5
[M+H-H2O]+ 160.02323 124.6
[M+HCOO]- 222.02417 148.9
[M+CH3COO]- 236.03982 191.3
[M+Na-2H]- 198.00064 140.3
[M]+ 177.02542 134.6
[M]- 177.02652 134.6
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

No patent data available for this compound.