CID 956335

N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C14H11FN2S
SMILES
C1=CC=C2C(=C1)N=C(S2)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C14H11FN2S/c15-11-7-5-10(6-8-11)9-16-14-17-12-3-1-2-4-13(12)18-14/h1-8H,9H2,(H,16,17)
InChIKey
UQMCXRXWSMGGDC-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

258.06268 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06996 152.8
[M+Na]+ 281.05190 167.3
[M+NH4]+ 276.09650 162.6
[M+K]+ 297.02584 158.3
[M-H]- 257.05540 157.4
[M+Na-2H]- 279.03735 162.2
[M]+ 258.06213 156.8
[M]- 258.06323 156.8
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