CID 61227448

2792185-54-5

Structural Information

Molecular Formula
C9H7ClN2S
SMILES
C1=CC(=CC(=C1)Cl)C2=CN=C(S2)N
InChI
InChI=1S/C9H7ClN2S/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,(H2,11,12)
InChIKey
QPKXBEAXNVKWQP-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

210.00185 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.009126 141.1
[M+Na]+ 232.991068 152.2
[M-H]- 208.994574 147.1
[M+NH4]+ 228.035673 161.7
[M+K]+ 248.965008 146.6
[M+H-H2O]+ 192.999110 135.3
[M+HCOO]- 255.000051 157.3
[M+CH3COO]- 269.015701 155.0
[M+Na-2H]- 230.976516 143.5
[M]+ 210.00130142 143.1
[M]- 210.00239858 143.1
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