CID 90204125

(5-fluoro-2-methyl-3-nitrophenyl)methanol

Structural Information

Molecular Formula
C8H8FNO3
SMILES
CC1=C(C=C(C=C1[N+](=O)[O-])F)CO
InChI
InChI=1S/C8H8FNO3/c1-5-6(4-11)2-7(9)3-8(5)10(12)13/h2-3,11H,4H2,1H3
InChIKey
OVEMFXRHESVQEF-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methyl-3-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

185.04883 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 133.1
[M+Na]+ 208.03805 142.2
[M-H]- 184.04155 135.1
[M+NH4]+ 203.08265 152.1
[M+K]+ 224.01199 136.0
[M+H-H2O]+ 168.04609 131.8
[M+HCOO]- 230.04703 156.9
[M+CH3COO]- 244.06268 174.9
[M+Na-2H]- 206.02350 139.7
[M]+ 185.04828 131.2
[M]- 185.04938 131.2
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