CID 605056

2,4,6-trifluorophenyl isothiocyanate

Structural Information

Molecular Formula
C7H2F3NS
SMILES
C1=C(C=C(C(=C1F)N=C=S)F)F
InChI
InChI=1S/C7H2F3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChIKey
JPISVBDECFJHDB-UHFFFAOYSA-N
Compound name
1,3,5-trifluoro-2-isothiocyanatobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

188.98601 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99329 138.6
[M+Na]+ 211.97523 149.0
[M+NH4]+ 207.01983 145.6
[M+K]+ 227.94917 140.6
[M-H]- 187.97873 137.7
[M+Na-2H]- 209.96068 143.4
[M]+ 188.98546 140.0
[M]- 188.98656 140.0
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