CID 767363

N-phenyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CC=C(C=C1)NC2=NN=CS2
InChI
InChI=1S/C8H7N3S/c1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-6H,(H,10,11)
InChIKey
BHJAUMXRPZNJEI-UHFFFAOYSA-N
Compound name
N-phenyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

177.03607 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 132.4
[M+Na]+ 200.02529 141.8
[M-H]- 176.02879 137.2
[M+NH4]+ 195.06989 152.0
[M+K]+ 215.99923 138.3
[M+H-H2O]+ 160.03333 124.9
[M+HCOO]- 222.03427 153.2
[M+CH3COO]- 236.04992 146.2
[M+Na-2H]- 198.01074 138.3
[M]+ 177.03552 133.0
[M]- 177.03662 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe