CID 2774658

3-fluoro-4-nitrobenzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
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

No literature data available for this compound.

Patent stripe

patents stripe