CID 7018625

60388-38-7

Structural Information

Molecular Formula
C8H5F3N2S
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(S2)N
InChI
InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-6-5(3-4)13-7(12)14-6/h1-3H,(H2,12,13)
InChIKey
ARKYDZKUBJMEDX-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

218.01256 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01984 137.3
[M+Na]+ 241.00178 149.8
[M-H]- 217.00528 137.6
[M+NH4]+ 236.04638 158.2
[M+K]+ 256.97572 145.0
[M+H-H2O]+ 201.00982 129.5
[M+HCOO]- 263.01076 153.7
[M+CH3COO]- 277.02641 186.2
[M+Na-2H]- 238.98723 141.7
[M]+ 218.01201 136.2
[M]- 218.01311 136.2
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