CID 45787503

1017781-52-0

Structural Information

Molecular Formula
C4HBrN2S
SMILES
C1=C(N=C(S1)C#N)Br
InChI
InChI=1S/C4HBrN2S/c5-3-2-8-4(1-6)7-3/h2H
InChIKey
WFYKPCQOWNXQCK-UHFFFAOYSA-N
Compound name
4-bromo-1,3-thiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

187.90437 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.91165 121.4
[M+Na]+ 210.89359 137.8
[M-H]- 186.89709 126.3
[M+NH4]+ 205.93819 143.8
[M+K]+ 226.86753 127.3
[M+H-H2O]+ 170.90163 115.2
[M+HCOO]- 232.90257 138.8
[M+CH3COO]- 246.91822 188.8
[M+Na-2H]- 208.87904 127.4
[M]+ 187.90382 135.3
[M]- 187.90492 135.3
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