CID 84651132

3-chloro-4-fluoro-5-methylphenol

Structural Information

Molecular Formula
C7H6ClFO
SMILES
CC1=CC(=CC(=C1F)Cl)O
InChI
InChI=1S/C7H6ClFO/c1-4-2-5(10)3-6(8)7(4)9/h2-3,10H,1H3
InChIKey
MQUKZLZHTFOBCN-UHFFFAOYSA-N
Compound name
3-chloro-4-fluoro-5-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]+ 161.016396 124.4
[M+Na]+ 182.998338 136.0
[M-H]- 159.001844 126.5
[M+NH4]+ 178.042943 146.4
[M+K]+ 198.972278 131.8
[M+H-H2O]+ 143.006380 120.2
[M+HCOO]- 205.007321 142.9
[M+CH3COO]- 219.022971 174.6
[M+Na-2H]- 180.983786 130.4
[M]+ 160.00857142 125.2
[M]- 160.00966858 125.2
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

No patent data available for this compound.