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

12
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 126.9
[M+Na]+ 227.90892 140.4
[M-H]- 203.91242 134.2
[M+NH4]+ 222.95352 151.8
[M+K]+ 243.88286 129.1
[M+H-H2O]+ 187.91696 127.4
[M+HCOO]- 249.91790 147.3
[M+CH3COO]- 263.93355 180.3
[M+Na-2H]- 225.89437 132.9
[M]+ 204.91915 147.0
[M]- 204.92025 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