CID 362005

Nsc625484

Structural Information

Molecular Formula
C15H10F2N2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C(=CC=C4)F)F
InChI
InChI=1S/C15H10F2N2S/c16-10-5-3-4-9(14(10)17)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
InChIKey
NMLUJMIARWELJM-UHFFFAOYSA-N
Compound name
1-(2,3-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.05328 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06056 159.8
[M+Na]+ 311.04250 173.6
[M-H]- 287.04600 165.1
[M+NH4]+ 306.08710 180.1
[M+K]+ 327.01644 167.1
[M+H-H2O]+ 271.05054 151.8
[M+HCOO]- 333.05148 175.9
[M+CH3COO]- 347.06713 173.0
[M+Na-2H]- 309.02795 160.5
[M]+ 288.05273 162.3
[M]- 288.05383 162.3
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.