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 149.1
[M+Na]+ 262.01762 159.9
[M-H]- 238.02112 155.6
[M+NH4]+ 257.06222 168.1
[M+K]+ 277.99156 155.7
[M+H-H2O]+ 222.02566 141.8
[M+HCOO]- 284.02660 164.8
[M+CH3COO]- 298.04225 162.7
[M+Na-2H]- 260.00307 151.2
[M]+ 239.02785 154.2
[M]- 239.02895 154.2
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.