CID 16227784

929975-70-2

Structural Information

Molecular Formula
C12H10F2N4S
SMILES
CC1=C(SC(=N1)N)C2=NC3=CC=CC=C3N2C(F)F
InChI
InChI=1S/C12H10F2N4S/c1-6-9(19-12(15)16-6)10-17-7-4-2-3-5-8(7)18(10)11(13)14/h2-5,11H,1H3,(H2,15,16)
InChIKey
QOJSEBIYDQUCKR-UHFFFAOYSA-N
Compound name
5-[1-(difluoromethyl)benzimidazol-2-yl]-4-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.05942 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06670 156.6
[M+Na]+ 303.04864 169.9
[M-H]- 279.05214 159.8
[M+NH4]+ 298.09324 174.3
[M+K]+ 319.02258 164.3
[M+H-H2O]+ 263.05668 148.0
[M+HCOO]- 325.05762 173.2
[M+CH3COO]- 339.07327 169.3
[M+Na-2H]- 301.03409 155.8
[M]+ 280.05887 158.8
[M]- 280.05997 158.8
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.