CID 3076252

2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanol hydrobromide

Structural Information

Molecular Formula
C10H9F3N2O2S
SMILES
C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCO
InChI
InChI=1S/C10H9F3N2O2S/c11-10(12,13)17-6-1-2-7-8(5-6)18-9(14)15(7)3-4-16/h1-2,5,14,16H,3-4H2
InChIKey
SODICPUNWKPVDQ-UHFFFAOYSA-N
Compound name
2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

278.0337 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04098 152.7
[M+Na]+ 301.02292 164.4
[M-H]- 277.02642 152.0
[M+NH4]+ 296.06752 170.6
[M+K]+ 316.99686 159.1
[M+H-H2O]+ 261.03096 144.7
[M+HCOO]- 323.03190 167.9
[M+CH3COO]- 337.04755 194.8
[M+Na-2H]- 299.00837 156.3
[M]+ 278.03315 153.8
[M]- 278.03425 153.8
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