CID 7518

N-phenylhydroxylamine

Structural Information

Molecular Formula
C6H7NO
SMILES
C1=CC=C(C=C1)NO
InChI
InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
InChIKey
CKRZKMFTZCFYGB-UHFFFAOYSA-N
Compound name
N-phenylhydroxylamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

106
References

8547
Patents

109.052765 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 117.6
[M+Na]+ 132.04198 125.0
[M-H]- 108.04549 120.2
[M+NH4]+ 127.08659 139.4
[M+K]+ 148.01592 123.4
[M+H-H2O]+ 92.050025 112.4
[M+HCOO]- 154.05097 142.9
[M+CH3COO]- 168.06662 166.4
[M+Na-2H]- 130.02743 127.3
[M]+ 109.05222 115.2
[M]- 109.05331 115.2
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