CID 2760791

2,3,4-trifluorophenyl isothiocyanate

Structural Information

Molecular Formula
C7H2F3NS
SMILES
C1=CC(=C(C(=C1N=C=S)F)F)F
InChI
InChI=1S/C7H2F3NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
InChIKey
KTNHZGZWGZUKGE-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-4-isothiocyanatobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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

literature stripe

Patent stripe

patents stripe