CID 14748837

Methyl (e)-3-methoxy-2-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]prop-2-enoate

Structural Information

Molecular Formula
C14H11F3N2O4S
SMILES
CO/C=C(\C1=CC=CC=C1OC2=NN=C(S2)C(F)(F)F)/C(=O)OC
InChI
InChI=1S/C14H11F3N2O4S/c1-21-7-9(11(20)22-2)8-5-3-4-6-10(8)23-13-19-18-12(24-13)14(15,16)17/h3-7H,1-2H3/b9-7+
InChIKey
CVHCGFPTNBKGOO-VQHVLOKHSA-N
Compound name
methyl (E)-3-methoxy-2-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

360.03915 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.04643 176.2
[M+Na]+ 383.02837 184.9
[M-H]- 359.03187 177.1
[M+NH4]+ 378.07297 188.4
[M+K]+ 399.00231 181.4
[M+H-H2O]+ 343.03641 165.9
[M+HCOO]- 405.03735 188.2
[M+CH3COO]- 419.05300 207.8
[M+Na-2H]- 381.01382 174.8
[M]+ 360.03860 179.3
[M]- 360.03970 179.3
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

patents stripe