CID 9665295

34158-75-3

Structural Information

Molecular Formula
C7H6INO
SMILES
C1=CC(=CC=C1/C=N/O)I
InChI
InChI=1S/C7H6INO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+
InChIKey
NVYLBKHPSREQBQ-WEVVVXLNSA-N
Compound name
(NE)-N-[(4-iodophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

246.94942 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.95670 137.2
[M+Na]+ 269.93864 138.4
[M-H]- 245.94214 134.1
[M+NH4]+ 264.98324 153.6
[M+K]+ 285.91258 142.3
[M+H-H2O]+ 229.94668 127.9
[M+HCOO]- 291.94762 158.2
[M+CH3COO]- 305.96327 183.4
[M+Na-2H]- 267.92409 133.0
[M]+ 246.94887 134.1
[M]- 246.94997 134.1
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