CID 53404000

3-fluoropropane-1-sulfonamide

Structural Information

Molecular Formula
C3H8FNO2S
SMILES
C(CF)CS(=O)(=O)N
InChI
InChI=1S/C3H8FNO2S/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChIKey
TUWLBHMNJWOAQE-UHFFFAOYSA-N
Compound name
3-fluoropropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

141.02597 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03325 123.3
[M+Na]+ 164.01519 131.6
[M-H]- 140.01869 122.2
[M+NH4]+ 159.05979 144.7
[M+K]+ 179.98913 130.0
[M+H-H2O]+ 124.02323 117.8
[M+HCOO]- 186.02417 141.0
[M+CH3COO]- 200.03982 171.3
[M+Na-2H]- 162.00064 127.5
[M]+ 141.02542 123.3
[M]- 141.02652 123.3
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