CID 2441966

4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H10F2N2OS
SMILES
CC1=C(N=C(S1)N)C2=CC=C(C=C2)OC(F)F
InChI
InChI=1S/C11H10F2N2OS/c1-6-9(15-11(14)17-6)7-2-4-8(5-3-7)16-10(12)13/h2-5,10H,1H3,(H2,14,15)
InChIKey
TXHATARQKDPFJO-UHFFFAOYSA-N
Compound name
4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0482 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.055476 150.8
[M+Na]+ 279.037418 160.8
[M-H]- 255.040924 154.3
[M+NH4]+ 274.082023 168.7
[M+K]+ 295.011358 156.4
[M+H-H2O]+ 239.045460 142.2
[M+HCOO]- 301.046401 168.1
[M+CH3COO]- 315.062051 195.2
[M+Na-2H]- 277.022866 150.1
[M]+ 256.04765142 150.8
[M]- 256.04874858 150.8
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.