CID 43305618

1-(5-fluoro-1,3-benzothiazol-2-yl)methanamine

Structural Information

Molecular Formula
C8H7FN2S
SMILES
C1=CC2=C(C=C1F)N=C(S2)CN
InChI
InChI=1S/C8H7FN2S/c9-5-1-2-7-6(3-5)11-8(4-10)12-7/h1-3H,4,10H2
InChIKey
XVWYCLRUSGLIHU-UHFFFAOYSA-N
Compound name
(5-fluoro-1,3-benzothiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.0314 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03868 130.9
[M+Na]+ 205.02062 143.0
[M-H]- 181.02412 133.8
[M+NH4]+ 200.06522 153.3
[M+K]+ 220.99456 138.7
[M+H-H2O]+ 165.02866 124.5
[M+HCOO]- 227.02960 151.0
[M+CH3COO]- 241.04525 145.5
[M+Na-2H]- 203.00607 135.7
[M]+ 182.03085 132.6
[M]- 182.03195 132.6
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