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

5
Patents

258.06268 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.069956 151.9
[M+Na]+ 281.051898 163.0
[M-H]- 257.055404 158.0
[M+NH4]+ 276.096503 171.1
[M+K]+ 297.025838 156.8
[M+H-H2O]+ 241.059940 144.0
[M+HCOO]- 303.060881 172.3
[M+CH3COO]- 317.076531 165.2
[M+Na-2H]- 279.037346 157.2
[M]+ 258.06213142 154.3
[M]- 258.06322858 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