CID 83383636

[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanol

Structural Information

Molecular Formula
C9H6F3NOS
SMILES
C1=CC2=C(C=C1C(F)(F)F)SC(=N2)CO
InChI
InChI=1S/C9H6F3NOS/c10-9(11,12)5-1-2-6-7(3-5)15-8(4-14)13-6/h1-3,14H,4H2
InChIKey
LZJPLKUVZZBKQF-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.01222 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01950 141.8
[M+Na]+ 256.00144 154.1
[M-H]- 232.00494 141.2
[M+NH4]+ 251.04604 161.9
[M+K]+ 271.97538 149.3
[M+H-H2O]+ 216.00948 134.4
[M+HCOO]- 278.01042 156.2
[M+CH3COO]- 292.02607 184.5
[M+Na-2H]- 253.98689 145.8
[M]+ 233.01167 142.3
[M]- 233.01277 142.3
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

No patent data available for this compound.