CID 165865056

2137745-79-8

Structural Information

Molecular Formula
C7H11FN2O2S
SMILES
CC(C)CN1C=C(N=C1)S(=O)(=O)F
InChI
InChI=1S/C7H11FN2O2S/c1-6(2)3-10-4-7(9-5-10)13(8,11)12/h4-6H,3H2,1-2H3
InChIKey
NIKDZZUDFITHQC-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)imidazole-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.05252 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05980 140.8
[M+Na]+ 229.04174 150.8
[M-H]- 205.04524 141.3
[M+NH4]+ 224.08634 159.8
[M+K]+ 245.01568 148.9
[M+H-H2O]+ 189.04978 134.0
[M+HCOO]- 251.05072 156.2
[M+CH3COO]- 265.06637 181.9
[M+Na-2H]- 227.02719 142.4
[M]+ 206.05197 143.6
[M]- 206.05307 143.6
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.