CID 9578377

5-bromothiophene-2-carboxaldehyde oxime

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

10
Patents

204.9197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.92698 128.0
[M+Na]+ 227.90892 129.7
[M+NH4]+ 222.95352 133.6
[M+K]+ 243.88286 130.0
[M-H]- 203.91242 128.7
[M+Na-2H]- 225.89437 130.9
[M]+ 204.91915 127.5
[M]- 204.92025 127.5
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