CID 82373345

4-fluoro-2-methylbenzo[d]thiazol-6-amine

Structural Information

Molecular Formula
C8H7FN2S
SMILES
CC1=NC2=C(C=C(C=C2S1)N)F
InChI
InChI=1S/C8H7FN2S/c1-4-11-8-6(9)2-5(10)3-7(8)12-4/h2-3H,10H2,1H3
InChIKey
DRJJOSJOJYWBQG-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

182.0314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03868 131.1
[M+Na]+ 205.02062 144.0
[M-H]- 181.02412 134.3
[M+NH4]+ 200.06522 153.8
[M+K]+ 220.99456 139.7
[M+H-H2O]+ 165.02866 125.0
[M+HCOO]- 227.02960 151.1
[M+CH3COO]- 241.04525 146.0
[M+Na-2H]- 203.00607 135.2
[M]+ 182.03085 133.2
[M]- 182.03195 133.2
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