CID 60800036

1498522-32-9

Structural Information

Molecular Formula
C9H10ClF
SMILES
CC1=CC(=CC(=C1F)C)CCl
InChI
InChI=1S/C9H10ClF/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4H,5H2,1-2H3
InChIKey
LEPBWOKRCLRVIG-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-fluoro-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0455 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05278 131.6
[M+Na]+ 195.03472 146.5
[M+NH4]+ 190.07932 141.3
[M+K]+ 211.00866 138.3
[M-H]- 171.03822 133.7
[M+Na-2H]- 193.02017 139.2
[M]+ 172.04495 134.7
[M]- 172.04605 134.7
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.