CID 100613190

2-chloro-5-fluoro-4-methylphenol

Structural Information

Molecular Formula
C7H6ClFO
SMILES
CC1=CC(=C(C=C1F)O)Cl
InChI
InChI=1S/C7H6ClFO/c1-4-2-5(8)7(10)3-6(4)9/h2-3,10H,1H3
InChIKey
ZGLIMOXKGUPYET-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.00912 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01640 125.8
[M+Na]+ 182.99834 140.1
[M+NH4]+ 178.04294 134.9
[M+K]+ 198.97228 133.2
[M-H]- 159.00184 126.9
[M+Na-2H]- 180.98379 132.9
[M]+ 160.00857 128.4
[M]- 160.00967 128.4
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

No patent data available for this compound.