CID 15050557

60388-39-8

Structural Information

Molecular Formula
C8H5F3N2S
SMILES
C1=CC(=C2C(=C1)N=C(S2)N)C(F)(F)F
InChI
InChI=1S/C8H5F3N2S/c9-8(10,11)4-2-1-3-5-6(4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKey
YMOKBGMXQWHOON-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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

literature stripe

Patent stripe

patents stripe