CID 4167587

4-fluoro-3-nitrobenzyl alcohol

Structural Information

Molecular Formula
C7H6FNO3
SMILES
C1=CC(=C(C=C1CO)[N+](=O)[O-])F
InChI
InChI=1S/C7H6FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2
InChIKey
MKWJZTFMDWSRIH-UHFFFAOYSA-N
Compound name
(4-fluoro-3-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

981
Patents

171.03317 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04045 128.8
[M+Na]+ 194.02239 137.4
[M-H]- 170.02589 130.6
[M+NH4]+ 189.06699 148.1
[M+K]+ 209.99633 131.4
[M+H-H2O]+ 154.03043 127.5
[M+HCOO]- 216.03137 153.0
[M+CH3COO]- 230.04702 170.7
[M+Na-2H]- 192.00784 136.6
[M]+ 171.03262 126.2
[M]- 171.03372 126.2
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