CID 66221540

2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C4HBrIN3S
SMILES
C1=C(N2C(=N1)SC(=N2)Br)I
InChI
InChI=1S/C4HBrIN3S/c5-3-8-9-2(6)1-7-4(9)10-3/h1H
InChIKey
MQVHKBWFJUMWBG-UHFFFAOYSA-N
Compound name
2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

328.81192 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.81920 127.1
[M+Na]+ 351.80114 138.4
[M-H]- 327.80464 126.6
[M+NH4]+ 346.84574 146.9
[M+K]+ 367.77508 134.0
[M+H-H2O]+ 311.80918 125.0
[M+HCOO]- 373.81012 141.5
[M+CH3COO]- 387.82577 140.9
[M+Na-2H]- 349.78659 123.3
[M]+ 328.81137 147.2
[M]- 328.81247 147.2
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