CID 2360905

348-45-8

Structural Information

Molecular Formula
C13H9FN2S
SMILES
C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)F
InChI
InChI=1S/C13H9FN2S/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h1-8H,(H,15,16)
InChIKey
KQKQLYWDIYNFJP-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

244.04704 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.054316 147.4
[M+Na]+ 267.036258 159.0
[M-H]- 243.039764 153.7
[M+NH4]+ 262.080863 167.2
[M+K]+ 283.010198 153.0
[M+H-H2O]+ 227.044300 139.7
[M+HCOO]- 289.045241 168.1
[M+CH3COO]- 303.060891 161.2
[M+Na-2H]- 265.021706 153.2
[M]+ 244.04649142 149.5
[M]- 244.04758858 149.5
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