CID 69275

4-nitrobenzyl alcohol

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CC(=CC=C1CO)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
InChIKey
JKTYGPATCNUWKN-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

5346
Patents

153.04259 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 127.1
[M+Na]+ 176.03181 140.4
[M+NH4]+ 171.07641 135.5
[M+K]+ 192.00575 137.3
[M-H]- 152.03531 130.0
[M+Na-2H]- 174.01726 133.9
[M]+ 153.04204 129.6
[M]- 153.04314 129.6
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