CID 2774616

5-fluoro-2-methylphenol

Structural Information

Molecular Formula
C7H7FO
SMILES
CC1=C(C=C(C=C1)F)O
InChI
InChI=1S/C7H7FO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
InChIKey
CKJOSIHYVLHIER-UHFFFAOYSA-N
Compound name
5-fluoro-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

513
Patents

126.048096 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05537 122.2
[M+Na]+ 149.03731 135.4
[M+NH4]+ 144.08192 131.1
[M+K]+ 165.01125 129.0
[M-H]- 125.04082 123.3
[M+Na-2H]- 147.02276 129.3
[M]+ 126.04755 124.3
[M]- 126.04864 124.3
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

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