CID 828165

31699-14-6

Structural Information

Molecular Formula
C9H7IN2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)I
InChI
InChI=1S/C9H7IN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKey
CBCNLOOXYGEQQZ-UHFFFAOYSA-N
Compound name
4-(4-iodophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

301.93747 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.94475 148.1
[M+Na]+ 324.92669 151.2
[M-H]- 300.93019 146.9
[M+NH4]+ 319.97129 163.5
[M+K]+ 340.90063 152.8
[M+H-H2O]+ 284.93473 137.9
[M+HCOO]- 346.93567 163.8
[M+CH3COO]- 360.95132 157.5
[M+Na-2H]- 322.91214 138.9
[M]+ 301.93692 145.7
[M]- 301.93802 145.7
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