CID 165640308

3-isocyanatopropane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C4H6FNO3S
SMILES
C(CN=C=O)CS(=O)(=O)F
InChI
InChI=1S/C4H6FNO3S/c5-10(8,9)3-1-2-6-4-7/h1-3H2
InChIKey
YHLTYKVTAMVWCT-UHFFFAOYSA-N
Compound name
3-isocyanatopropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.00525 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.01253 127.8
[M+Na]+ 189.99447 136.8
[M-H]- 165.99797 128.7
[M+NH4]+ 185.03907 149.1
[M+K]+ 205.96841 135.5
[M+H-H2O]+ 150.00251 122.0
[M+HCOO]- 212.00345 148.1
[M+CH3COO]- 226.01910 177.1
[M+Na-2H]- 187.97992 133.3
[M]+ 167.00470 131.2
[M]- 167.00580 131.2
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

No patent data available for this compound.