CID 43134917

224957-21-5

Structural Information

Molecular Formula
C9H7F3N2S
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN
InChI
InChI=1S/C9H7F3N2S/c10-9(11,12)5-1-2-7-6(3-5)14-8(4-13)15-7/h1-3H,4,13H2
InChIKey
BUNQRTHGGUSUHA-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.0282 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03548 141.9
[M+Na]+ 255.01742 153.9
[M-H]- 231.02092 142.0
[M+NH4]+ 250.06202 162.2
[M+K]+ 270.99136 148.9
[M+H-H2O]+ 215.02546 133.9
[M+HCOO]- 277.02640 157.9
[M+CH3COO]- 291.04205 189.2
[M+Na-2H]- 253.00287 145.8
[M]+ 232.02765 141.1
[M]- 232.02875 141.1
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