CID 15230

1536-80-7

Structural Information

Molecular Formula
C6H10FNS
SMILES
C(CCN=C=S)CCF
InChI
InChI=1S/C6H10FNS/c7-4-2-1-3-5-8-6-9/h1-5H2
InChIKey
JEHXRXHQHCVJHP-UHFFFAOYSA-N
Compound name
1-fluoro-5-isothiocyanatopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.0518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05908 127.3
[M+Na]+ 170.04102 134.8
[M-H]- 146.04452 127.8
[M+NH4]+ 165.08562 149.7
[M+K]+ 186.01496 132.8
[M+H-H2O]+ 130.04906 121.1
[M+HCOO]- 192.05000 147.4
[M+CH3COO]- 206.06565 178.9
[M+Na-2H]- 168.02647 131.0
[M]+ 147.05125 129.1
[M]- 147.05235 129.1
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.