CID 3039977

Brn 0982941

Structural Information

Molecular Formula
C10H10ClN3S
SMILES
CN(C)C1=NN=C(S1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClN3S/c1-14(2)10-13-12-9(15-10)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKey
ROLSQRRRNVVMTF-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0284 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03568 149.7
[M+Na]+ 262.01762 163.9
[M+NH4]+ 257.06222 159.3
[M+K]+ 277.99156 156.2
[M-H]- 238.02112 154.2
[M+Na-2H]- 260.00307 158.3
[M]+ 239.02785 153.8
[M]- 239.02895 153.8
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.