CID 29919768

(2-fluoro-3-nitrophenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
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 128.3
[M+Na]+ 194.02239 141.0
[M+NH4]+ 189.06699 135.9
[M+K]+ 209.99633 138.2
[M-H]- 170.02589 129.7
[M+Na-2H]- 192.00784 134.2
[M]+ 171.03262 130.2
[M]- 171.03372 130.2
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