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 151.9
[M+Na]+ 281.05190 163.0
[M-H]- 257.05540 158.0
[M+NH4]+ 276.09650 171.1
[M+K]+ 297.02584 156.8
[M+H-H2O]+ 241.05994 144.0
[M+HCOO]- 303.06088 172.3
[M+CH3COO]- 317.07653 165.2
[M+Na-2H]- 279.03735 157.2
[M]+ 258.06213 154.3
[M]- 258.06323 154.3
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