CID 65643753

5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine hydrochloride

Structural Information

Molecular Formula
C9H6F3N3OS
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)C2=NN=C(S2)N
InChI
InChI=1S/C9H6F3N3OS/c10-9(11,12)16-6-3-1-2-5(4-6)7-14-15-8(13)17-7/h1-4H,(H2,13,15)
InChIKey
SYUMHUCKSWMXJQ-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.01837 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02565 149.0
[M+Na]+ 284.00759 159.8
[M-H]- 260.01109 149.9
[M+NH4]+ 279.05219 165.2
[M+K]+ 299.98153 155.2
[M+H-H2O]+ 244.01563 139.2
[M+HCOO]- 306.01657 164.2
[M+CH3COO]- 320.03222 192.4
[M+Na-2H]- 281.99304 151.3
[M]+ 261.01782 147.3
[M]- 261.01892 147.3
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