CID 10824191

4-(1,3-benzothiazol-2-yl)-3-fluoroaniline

Structural Information

Molecular Formula
C13H9FN2S
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)N)F
InChI
InChI=1S/C13H9FN2S/c14-10-7-8(15)5-6-9(10)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2
InChIKey
BDEYHVZNXILQCB-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

244.04704 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05432 148.3
[M+Na]+ 267.03626 160.7
[M-H]- 243.03976 154.5
[M+NH4]+ 262.08086 168.1
[M+K]+ 283.01020 154.4
[M+H-H2O]+ 227.04430 140.9
[M+HCOO]- 289.04524 168.4
[M+CH3COO]- 303.06089 162.1
[M+Na-2H]- 265.02171 152.4
[M]+ 244.04649 149.9
[M]- 244.04759 149.9
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