CID 58615941

5-fluoro-3-methyl-2-hydroxy-nitrobenzene

Structural Information

Molecular Formula
C7H6FNO3
SMILES
CC1=CC(=CC(=C1O)[N+](=O)[O-])F
InChI
InChI=1S/C7H6FNO3/c1-4-2-5(8)3-6(7(4)10)9(11)12/h2-3,10H,1H3
InChIKey
YSSPDRCAPPNOIU-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

171.03317 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04045 128.2
[M+Na]+ 194.02239 137.7
[M-H]- 170.02589 130.3
[M+NH4]+ 189.06699 147.7
[M+K]+ 209.99633 131.7
[M+H-H2O]+ 154.03043 127.1
[M+HCOO]- 216.03137 152.3
[M+CH3COO]- 230.04702 171.9
[M+Na-2H]- 192.00784 135.3
[M]+ 171.03262 125.9
[M]- 171.03372 125.9
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