CID 21162811

2-(chloromethyl)-1-fluoro-3-methylbenzene

Structural Information

Molecular Formula
C8H8ClF
SMILES
CC1=C(C(=CC=C1)F)CCl
InChI
InChI=1S/C8H8ClF/c1-6-3-2-4-8(10)7(6)5-9/h2-4H,5H2,1H3
InChIKey
GGJVGJOFFKFBTQ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-fluoro-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

158.02986 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03714 127.1
[M+Na]+ 181.01908 141.9
[M+NH4]+ 176.06368 137.0
[M+K]+ 196.99302 133.8
[M-H]- 157.02258 129.2
[M+Na-2H]- 179.00453 135.3
[M]+ 158.02931 130.2
[M]- 158.03041 130.2
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

patents stripe