CID 69574

4-nitrosoaniline

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1=CC(=CC=C1N)N=O
InChI
InChI=1S/C6H6N2O/c7-5-1-3-6(8-9)4-2-5/h1-4H,7H2
InChIKey
SALQMMXSINGXMI-UHFFFAOYSA-N
Compound name
4-nitrosoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

793
Patents

122.04801 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 119.4
[M+Na]+ 145.03723 128.0
[M-H]- 121.04073 124.6
[M+NH4]+ 140.08183 141.7
[M+K]+ 161.01117 127.2
[M+H-H2O]+ 105.04527 113.5
[M+HCOO]- 167.04621 148.3
[M+CH3COO]- 181.06186 176.1
[M+Na-2H]- 143.02268 128.6
[M]+ 122.04746 118.7
[M]- 122.04856 118.7
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