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]+ 257.05548 150.8
[M+Na]+ 279.03742 160.8
[M-H]- 255.04092 154.3
[M+NH4]+ 274.08202 168.7
[M+K]+ 295.01136 156.4
[M+H-H2O]+ 239.04546 142.2
[M+HCOO]- 301.04640 168.1
[M+CH3COO]- 315.06205 195.2
[M+Na-2H]- 277.02287 150.1
[M]+ 256.04765 150.8
[M]- 256.04875 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.