CID 24694121

1016757-34-8

Structural Information

Molecular Formula
C11H7FN2S
SMILES
C1=CC=C(C(=C1)C2=CSC(=N2)CC#N)F
InChI
InChI=1S/C11H7FN2S/c12-9-4-2-1-3-8(9)10-7-15-11(14-10)5-6-13/h1-4,7H,5H2
InChIKey
JRHONXLZYUYQPL-UHFFFAOYSA-N
Compound name
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.0314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.038676 147.4
[M+Na]+ 241.020618 160.0
[M-H]- 217.024124 151.6
[M+NH4]+ 236.065223 165.3
[M+K]+ 256.994558 154.6
[M+H-H2O]+ 201.028660 133.2
[M+HCOO]- 263.029601 162.8
[M+CH3COO]- 277.045251 159.3
[M+Na-2H]- 239.006066 148.9
[M]+ 218.03085142 143.6
[M]- 218.03194858 143.6
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