CID 383937

Nsc672902

Structural Information

Molecular Formula
C11H11FN2S
SMILES
CC1(N2C(=NC3=CC=CC=C32)CS1)CF
InChI
InChI=1S/C11H11FN2S/c1-11(7-12)14-9-5-3-2-4-8(9)13-10(14)6-15-11/h2-5H,6-7H2,1H3
InChIKey
FTUMZDSGDPCRTF-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)-1-methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06998 144.1
[M+Na]+ 245.05192 157.4
[M-H]- 221.05542 147.2
[M+NH4]+ 240.09652 169.0
[M+K]+ 261.02586 153.2
[M+H-H2O]+ 205.05996 138.0
[M+HCOO]- 267.06090 161.2
[M+CH3COO]- 281.07655 158.3
[M+Na-2H]- 243.03737 148.0
[M]+ 222.06215 148.1
[M]- 222.06325 148.1
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

No patent data available for this compound.