CID 71651411

1379812-05-1

Structural Information

Molecular Formula
C7H4F5NOS
SMILES
C1=CC2=C(C=C1S(F)(F)(F)(F)F)N=CO2
InChI
InChI=1S/C7H4F5NOS/c8-15(9,10,11,12)5-1-2-7-6(3-5)13-4-14-7/h1-4H
InChIKey
RDYQMSOJDMEGFL-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-5-yl(pentafluoro)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.99338 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00066 131.4
[M+Na]+ 267.98260 145.5
[M-H]- 243.98610 130.8
[M+NH4]+ 263.02720 150.5
[M+K]+ 283.95654 142.2
[M+H-H2O]+ 227.99064 123.1
[M+HCOO]- 289.99158 145.8
[M+CH3COO]- 304.00723 145.3
[M+Na-2H]- 265.96805 135.4
[M]+ 244.99283 131.0
[M]- 244.99393 131.0
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