CID 2725113

5-chloro-2-fluorotoluene

Structural Information

Molecular Formula
C7H6ClF
SMILES
CC1=C(C=CC(=C1)Cl)F
InChI
InChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
JOXXHDGUTVUBDL-UHFFFAOYSA-N
Compound name
4-chloro-1-fluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

491
Patents

144.0142 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.02148 122.5
[M+Na]+ 167.00342 137.5
[M+NH4]+ 162.04802 132.6
[M+K]+ 182.97736 129.6
[M-H]- 143.00692 124.6
[M+Na-2H]- 164.98887 130.9
[M]+ 144.01365 125.6
[M]- 144.01475 125.6
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