CID 9578377

Dtxsid901248224

Structural Information

Molecular Formula
C5H4BrNOS
SMILES
C1=C(SC(=C1)Br)/C=N/O
InChI
InChI=1S/C5H4BrNOS/c6-5-2-1-4(9-5)3-7-8/h1-3,8H/b7-3+
InChIKey
URLSTLFAZRSULI-XVNBXDOJSA-N
Compound name
(NE)-N-[(5-bromothiophen-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

204.9197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.926976 126.9
[M+Na]+ 227.908918 140.4
[M-H]- 203.912424 134.2
[M+NH4]+ 222.953523 151.8
[M+K]+ 243.882858 129.1
[M+H-H2O]+ 187.916960 127.4
[M+HCOO]- 249.917901 147.3
[M+CH3COO]- 263.933551 180.3
[M+Na-2H]- 225.894366 132.9
[M]+ 204.91915142 147.0
[M]- 204.92024858 147.0
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