CID 16228112

5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H11FN2S
SMILES
CC1=C(C=C(C=C1)CC2=CN=C(S2)N)F
InChI
InChI=1S/C11H11FN2S/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKey
ZIQWUWHGNUWGBS-UHFFFAOYSA-N
Compound name
5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.0627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06998 144.7
[M+Na]+ 245.05192 155.3
[M-H]- 221.05542 149.6
[M+NH4]+ 240.09652 164.3
[M+K]+ 261.02586 150.3
[M+H-H2O]+ 205.05996 137.2
[M+HCOO]- 267.06090 163.9
[M+CH3COO]- 281.07655 158.1
[M+Na-2H]- 243.03737 145.5
[M]+ 222.06215 145.0
[M]- 222.06325 145.0
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